N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

C23H23Cl2FN2S — CID 19374860

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H23Cl2FN2S/c1-3-12-28(22(15-4-5-15)16-6-9-18(26)10-7-16)23-27-21(14(2)29-23)19-11-8-17(24)13-20(19)25/h6-11,13,15,22H,3-5,12H2,1-2H3
InChIKeyDANUJCZMOFVUAZ-UHFFFAOYSA-N
MW449.42 g/mol
LogP7.93
Rot. Bonds7

About N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 19374860) has the molecular formula C23H23Cl2FN2S and a molecular weight of 449.42 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID19374860
Molecular FormulaC23H23Cl2FN2S
Molecular Weight449.42 g/mol
Exact Mass448.09
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C23H23Cl2FN2S/c1-3-12-28(22(15-4-5-15)16-6-9-18(26)10-7-16)23-27-21(14(2)29-23)19-11-8-17(24)13-20(19)25/h6-11,13,15,22H,3-5,12H2,1-2H3
InChIKeyDANUJCZMOFVUAZ-UHFFFAOYSA-N
XLogP7.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.42
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-Dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 5018022
4-(2,4-dichlorophenyl)-3-hexyl-N-phenyl-1,3-thiazol-3-ium-2-amine chloride
CID 15945174
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 132941378
4,5-bis(4-chlorophenyl)-N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155545649
4,5-bis(4-chlorophenyl)-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-1,3-thiazol-2-amine
CID 155545951
N-[[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 155556231
4-(4-Chlorophenyl)-2-(3-phenyl-1-pyrrolidinyl)-1,3-thiazole
CID 2921946
3-butyl-4-(2,4-dichlorophenyl)-N-phenyl-1,3-thiazol-3-ium-2-amine chloride
CID 15945176
N-(1-benzylpiperidin-4-yl)-4,5-bis(4-chlorophenyl)-1,3-thiazol-2-amine
CID 155563905
4,5-bis(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-thiazol-2-amine
CID 155567334
1-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)piperazine
CID 2815379
N-(3,5-dichlorophenyl)-N-ethyl-4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 76310193

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 19374860) is N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is DANUJCZMOFVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2S/c1-3-12-28(22(15-4-5-15)16-6-9-18(26)10-7-16)23-27-21(14(2)29-23)19-11-8-17(24)13-20(19)25/h6-11,13,15,22H,3-5,12H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 449.42 g/mol, XLogP of 7.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19374860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).