2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine

C9H7ClN2S2 — CID 102770197

IUPAC2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine
SMILESNc1cnc(Sc2ccccc2Cl)s1
InChIInChI=1S/C9H7ClN2S2/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H,11H2
InChIKeyAFYKDIUAAFJAAZ-UHFFFAOYSA-N
MW242.76 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine

2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine (PubChem CID 102770197) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine
PubChem CID102770197
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine
SMILESNc1cnc(Sc2ccccc2Cl)s1
InChIInChI=1S/C9H7ClN2S2/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H,11H2
InChIKeyAFYKDIUAAFJAAZ-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Chlorophenyl)disulfanyl]-1,3-thiazole
CID 145962383
2-[(2-Chlorophenyl)disulfanyl]-1,3-thiazole
CID 150623387
acs.jmedchem.1c00409_ST.317
CID 145961074
2-[(3-Chlorophenyl)disulfanyl]-1,3-thiazole
CID 150660049
2-[(2,4-Dichlorophenyl)disulfanyl]-1,3-thiazole
CID 151525807
2-((4-Chlorophenyl)thio)thiazole
CID 820439
2-(2-Fluorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770192
2-(4-Fluorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770201
2-(3,4-Difluorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770244
2-(2,4-Difluorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770251
2-(2,5-Difluorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770254
2-(3-Fluorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770336

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine (CID 102770197) is 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine is Nc1cnc(Sc2ccccc2Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine?
The InChIKey is AFYKDIUAAFJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c10-6-3-1-2-4-7(6)13-9-12-5-8(11)14-9/h1-5H,11H2.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine?
2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine has a molecular weight of 242.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine is sourced from PubChem (CID 102770197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).