1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine

C72H52ClFN16S6 — CID 162136735

IUPAC1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2ccc3ccccc3c2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2cccs2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2cccs2)cn1-c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C22H16N4S.C18H13FN4S.C16H11ClN4S2.C16H12N4S2/c23-21-24-19(18-11-10-15-6-4-5-9-17(15)12-18)13-26(21)22-25-20(14-27-22)16-7-2-1-3-8-16;19-14-8-6-13(7-9-14)15-10-23(17(20)21-15)18-22-16(11-24-18)12-4-2-1-3-5-12;17-11-5-2-1-4-10(11)13-9-23-16(20-13)21-8-12(19-15(21)18)14-6-3-7-22-14;17-15-18-12(14-7-4-8-21-14)9-20(15)16-19-13(10-22-16)11-5-2-1-3-6-11/h1-14H,(H2,23,24);1-11H,(H2,20,21);1-9H,(H2,18,19);1-10H,(H2,17,18)
InChIKeyZJJUKOVCXSZQSI-UHFFFAOYSA-N
MW1388.17 g/mol
LogP19.05
Rot. Bonds12

About 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine

1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine (PubChem CID 162136735) has the molecular formula C72H52ClFN16S6 and a molecular weight of 1388.17 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine
PubChem CID162136735
Molecular FormulaC72H52ClFN16S6
Molecular Weight1388.17 g/mol
Exact Mass1386.26
IUPAC Name1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine
SMILESNc1nc(-c2ccc(F)cc2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2ccc3ccccc3c2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2cccs2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2cccs2)cn1-c1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C22H16N4S.C18H13FN4S.C16H11ClN4S2.C16H12N4S2/c23-21-24-19(18-11-10-15-6-4-5-9-17(15)12-18)13-26(21)22-25-20(14-27-22)16-7-2-1-3-8-16;19-14-8-6-13(7-9-14)15-10-23(17(20)21-15)18-22-16(11-24-18)12-4-2-1-3-5-12;17-11-5-2-1-4-10(11)13-9-23-16(20-13)21-8-12(19-15(21)18)14-6-3-7-22-14;17-15-18-12(14-7-4-8-21-14)9-20(15)16-19-13(10-22-16)11-5-2-1-3-6-11/h1-14H,(H2,23,24);1-11H,(H2,20,21);1-9H,(H2,18,19);1-10H,(H2,17,18)
InChIKeyZJJUKOVCXSZQSI-UHFFFAOYSA-N
XLogP19.05
TPSA226.92 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001388.17
LogP ≤ 519.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine with MolForge

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Related Compounds

4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 157056374
4,5-diphenyl-2-thiophen-2-yl-1H-imidazole;5-methyl-4-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole;5-methyl-4-naphthalen-2-yl-2-thiophen-2-yl-1H-imidazole;5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole;5-naphthalen-2-yl-2-thiophen-2-yl-1H-imidazole
CID 157496266
benzene;2-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1,3-thiazole;4-(4-chlorophenyl)-2-methyl-1,3-thiazole;N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide;N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide;4-(2,4-difluorophenyl)-2-methyl-1,3-thiazole;N,3-dimethyl-5-phenyl-1,3-thiazol-3-ium-2-amine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;N-methyl-4,5-diphenyl-1,3-thiazol-2-amine;2-methyl-4,5-diphenyl-1,3-thiazole;N-methyl-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-methyl-4-naphthalen-2-yl-1,3-thiazole;2-methyl-4-phenyl-1,3-thiazole
CID 160358546
4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 160822536
benzene;4-(4-chlorophenyl)-2-methyl-1,3-thiazole;4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,3-thiazole;N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide;N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide;4-(2,4-difluorophenyl)-2-methyl-1,3-thiazole;N,3-dimethyl-5-phenyl-1,3-thiazol-3-ium-2-amine;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;N-methyl-4,5-diphenyl-1,3-thiazol-2-amine;2-methyl-4,5-diphenyl-1,3-thiazole;N-methyl-4-naphthalen-2-yl-1,3-thiazol-2-amine;2-methyl-4-naphthalen-2-yl-1,3-thiazole;2-methyl-4-phenyl-1,3-thiazole
CID 161334600
1,2-Di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;bis(1,4-di(propan-2-yl)benzene);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(2,5-di(propan-2-yl)-1,3-thiazole);bis(1-methyl-2,4-di(propan-2-yl)imidazole);tris(1-methyl-2,4-di(propan-2-yl)pyrrole)
CID 161384393
1-[4-(2-Chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;1-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine;1-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine
CID 162126644
5-methyl-4-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole;5-methyl-4-naphthalen-2-yl-2-thiophen-2-yl-1H-imidazole;5-methyl-4-phenyl-2-thiophen-3-yl-1H-imidazole;5-naphthalen-1-yl-2-thiophen-2-yl-1H-imidazole;5-naphthalen-2-yl-2-thiophen-2-yl-1H-imidazole
CID 162178661
6-(4-Chlorophenyl)imidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole;6-(4-chlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole;6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 167648789
1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dimethylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-pyridin-3-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;1-[(Z)-(4-fluorophenyl)methylideneamino]-4-thiophen-3-ylimidazol-2-amine
CID 172917817
1-[(Z)-(1-chloroanthracen-2-yl)methylideneamino]-4-phenylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(2,4-dichlorophenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-naphthalen-2-ylimidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-(4-phenylphenyl)imidazol-2-amine;1-[(Z)-(4-chlorophenyl)methylideneamino]-4-thiophen-2-ylimidazol-2-amine;4-(2,4-dichlorophenyl)-1-[(Z)-(4-fluorophenyl)methylideneamino]imidazol-2-amine
CID 172974660

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine?
The IUPAC name of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine (CID 162136735) is 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine?
The canonical SMILES for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine is Nc1nc(-c2ccc(F)cc2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2ccc3ccccc3c2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2cccs2)cn1-c1nc(-c2ccccc2)cs1.Nc1nc(-c2cccs2)cn1-c1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine?
The InChIKey is ZJJUKOVCXSZQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4S.C18H13FN4S.C16H11ClN4S2.C16H12N4S2/c23-21-24-19(18-11-10-15-6-4-5-9-17(15)12-18)13-26(21)22-25-20(14-27-22)16-7-2-1-3-8-16;19-14-8-6-13(7-9-14)15-10-23(17(20)21-15)18-22-16(11-24-18)12-4-2-1-3-5-12;17-11-5-2-1-4-10(11)13-9-23-16(20-13)21-8-12(19-15(21)18)14-6-3-7-22-14;17-15-18-12(14-7-4-8-21-14)9-20(15)16-19-13(10-22-16)11-5-2-1-3-6-11/h1-14H,(H2,23,24);1-11H,(H2,20,21);1-9H,(H2,18,19);1-10H,(H2,17,18).
What are the key properties of 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine?
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine has a molecular weight of 1388.17 g/mol, XLogP of 19.05, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-ylimidazol-2-amine;4-(4-fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;4-naphthalen-2-yl-1-(4-phenyl-1,3-thiazol-2-yl)imidazol-2-amine;1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-2-ylimidazol-2-amine is sourced from PubChem (CID 162136735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).