6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine

C8H6ClN3S2 — CID 115474613

IUPAC6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(Cl)nc1Sc1nccs1
InChIInChI=1S/C8H6ClN3S2/c9-6-2-1-5(10)7(12-6)14-8-11-3-4-13-8/h1-4H,10H2
InChIKeyZSEJLPVWTGLNQU-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.92
Rot. Bonds2

About 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine

6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine (PubChem CID 115474613) has the molecular formula C8H6ClN3S2 and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
PubChem CID115474613
Molecular FormulaC8H6ClN3S2
Molecular Weight243.74 g/mol
Exact Mass242.97
IUPAC Name6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1ccc(Cl)nc1Sc1nccs1
InChIInChI=1S/C8H6ClN3S2/c9-6-2-1-5(10)7(12-6)14-8-11-3-4-13-8/h1-4H,10H2
InChIKeyZSEJLPVWTGLNQU-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine
CID 115474595
6-chloro-2-pyridin-2-ylsulfanylpyridin-3-amine
CID 115474582
2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798231
4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
CID 80885673
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79073930
[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 107552301
2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine
CID 115474601
5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886316
3-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107060942
2-phenylsulfanyl-1,3-thiazole
CID 606073
2-nitro-3-(1,3-thiazol-2-ylsulfanyl)aniline
CID 80885581
5-chloro-2-(1,3-thiazol-2-ylsulfanylmethyl)aniline
CID 62101108

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine (CID 115474613) is 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine is Nc1ccc(Cl)nc1Sc1nccs1.
What is the InChIKey of 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
The InChIKey is ZSEJLPVWTGLNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S2/c9-6-2-1-5(10)7(12-6)14-8-11-3-4-13-8/h1-4H,10H2.
What are the key properties of 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine?
6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine has a molecular weight of 243.74 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 115474613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).