3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide

C23H17FN6OS — CID 55515070

IUPAC3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide
SMILESCn1ccnc1-c1sc(NC(=O)c2cncn2-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H17FN6OS/c1-29-12-11-26-21(29)20-19(15-5-3-2-4-6-15)27-23(32-20)28-22(31)18-13-25-14-30(18)17-9-7-16(24)8-10-17/h2-14H,1H3,(H,27,28,31)
InChIKeyPZOWTYFIFQGKFZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.79
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide

3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide (PubChem CID 55515070) has the molecular formula C23H17FN6OS and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide
PubChem CID55515070
Molecular FormulaC23H17FN6OS
Molecular Weight444.50 g/mol
Exact Mass444.12
IUPAC Name3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide
SMILESCn1ccnc1-c1sc(NC(=O)c2cncn2-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H17FN6OS/c1-29-12-11-26-21(29)20-19(15-5-3-2-4-6-15)27-23(32-20)28-22(31)18-13-25-14-30(18)17-9-7-16(24)8-10-17/h2-14H,1H3,(H,27,28,31)
InChIKeyPZOWTYFIFQGKFZ-UHFFFAOYSA-N
XLogP4.79
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-pyridin-2-yl-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 141243820
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1164343
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3905080
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 32622575
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 44480883
1-(2-Amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)-2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]ethanone
CID 71656663
2-[4-(4-Fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 71656844
N-[6-[2-[4-(4-fluoro-3-methylphenyl)-2-phenylimidazol-1-yl]acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
CID 71657122
2-[[4-[[4-[[amino-(3-fluorophenyl)methylidene]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-5-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 145973581
6-(4-fluorophenyl)-3-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3237288

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide (CID 55515070) is 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide is Cn1ccnc1-c1sc(NC(=O)c2cncn2-c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide?
The InChIKey is PZOWTYFIFQGKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6OS/c1-29-12-11-26-21(29)20-19(15-5-3-2-4-6-15)27-23(32-20)28-22(31)18-13-25-14-30(18)17-9-7-16(24)8-10-17/h2-14H,1H3,(H,27,28,31).
What are the key properties of 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 55515070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).