2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine

C14H11ClN4S — CID 82059224

IUPAC2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc(-c3ccccn3)cs2)c(Cl)c1
InChIInChI=1S/C14H11ClN4S/c15-10-7-9(16)4-5-11(10)18-14-19-13(8-20-14)12-3-1-2-6-17-12/h1-8H,16H2,(H,18,19)
InChIKeyOFYYKWJVICNYQR-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.18
Rot. Bonds3

About 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine

2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 82059224) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID82059224
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc(-c3ccccn3)cs2)c(Cl)c1
InChIInChI=1S/C14H11ClN4S/c15-10-7-9(16)4-5-11(10)18-14-19-13(8-20-14)12-3-1-2-6-17-12/h1-8H,16H2,(H,18,19)
InChIKeyOFYYKWJVICNYQR-UHFFFAOYSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 746698
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
N-(6-chloro-2-ethylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777939
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
N-(4-methylpyrimidin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 71549400
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
4-(4-aminophenyl)-N-(2,5-dichlorophenyl)-1,3-thiazol-2-amine
CID 810304
N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 86076382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 82059224) is 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine is Nc1ccc(Nc2nc(-c3ccccn3)cs2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is OFYYKWJVICNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-10-7-9(16)4-5-11(10)18-14-19-13(8-20-14)12-3-1-2-6-17-12/h1-8H,16H2,(H,18,19).
What are the key properties of 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine?
2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 302.79 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 82059224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).