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

C15H11ClN2S2 — CID 87964045

IUPACN-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Sc2ccc(Nc3nccs3)cc2)cc1
InChIInChI=1S/C15H11ClN2S2/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)18-15-17-9-10-19-15/h1-10H,(H,17,18)
InChIKeyYTVNNYHGXIJZFL-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.69
Rot. Bonds4

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

N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine (PubChem CID 87964045) has the molecular formula C15H11ClN2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
PubChem CID87964045
Molecular FormulaC15H11ClN2S2
Molecular Weight318.85 g/mol
Exact Mass318.01
IUPAC NameN-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine
SMILESClc1ccc(Sc2ccc(Nc3nccs3)cc2)cc1
InChIInChI=1S/C15H11ClN2S2/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)18-15-17-9-10-19-15/h1-10H,(H,17,18)
InChIKeyYTVNNYHGXIJZFL-UHFFFAOYSA-N
XLogP5.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylphenyl]-1,3-thiazol-2-amine
CID 144571941
6-N-(4-chlorophenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19147555
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
N-[4-(2-aminoethyl)phenyl]-1,3-thiazol-2-amine
CID 63759016
N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 87538093
N-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
CID 177016308
4-[[4-[1-(4-chlorophenyl)cyclopentyl]-1,3-thiazol-2-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145420
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 40964488
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
2-methyl-4-N-(1,3-thiazol-2-yl)benzene-1,4-diamine
CID 164658462
(2S)-2-(4-chlorophenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 94016494
2-methyl-5-(1,3-thiazol-2-ylamino)phenol
CID 86645029

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine (CID 87964045) is N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine is Clc1ccc(Sc2ccc(Nc3nccs3)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine?
The InChIKey is YTVNNYHGXIJZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S2/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)18-15-17-9-10-19-15/h1-10H,(H,17,18).
What are the key properties of N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine?
N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine has a molecular weight of 318.85 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87964045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).