N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine

C16H12Cl2N2S — CID 23855488

IUPACN-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2ncc(Cc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C16H12Cl2N2S/c17-12-4-6-14(7-5-12)20-16-19-10-15(21-16)9-11-2-1-3-13(18)8-11/h1-8,10H,9H2,(H,19,20)
InChIKeyHKBIGFUEXFDXPG-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.78
Rot. Bonds4

About N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine

N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 23855488) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID23855488
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC NameN-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2ncc(Cc3cccc(Cl)c3)s2)cc1
InChIInChI=1S/C16H12Cl2N2S/c17-12-4-6-14(7-5-12)20-16-19-10-15(21-16)9-11-2-1-3-13(18)8-11/h1-8,10H,9H2,(H,19,20)
InChIKeyHKBIGFUEXFDXPG-UHFFFAOYSA-N
XLogP5.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
CID 2239682
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43045656
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 42353300
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 42027543
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4,5-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 87673833
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 42353416
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 42353684

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 23855488) is N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine is Clc1ccc(Nc2ncc(Cc3cccc(Cl)c3)s2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HKBIGFUEXFDXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c17-12-4-6-14(7-5-12)20-16-19-10-15(21-16)9-11-2-1-3-13(18)8-11/h1-8,10H,9H2,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 335.26 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 23855488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).