2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole

C9H7ClN2S2 — CID 83266672

IUPAC2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCc1cnc(Cl)cc1Sc1nccs1
InChIInChI=1S/C9H7ClN2S2/c1-6-5-12-8(10)4-7(6)14-9-11-2-3-13-9/h2-5H,1H3
InChIKeyLLAPJQJBJXAULG-UHFFFAOYSA-N
MW242.76 g/mol
LogP3.65
Rot. Bonds2

About 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole

2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole (PubChem CID 83266672) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole
PubChem CID83266672
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole
SMILESCc1cnc(Cl)cc1Sc1nccs1
InChIInChI=1S/C9H7ClN2S2/c1-6-5-12-8(10)4-7(6)14-9-11-2-3-13-9/h2-5H,1H3
InChIKeyLLAPJQJBJXAULG-UHFFFAOYSA-N
XLogP3.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.76
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole (CID 83266672) is 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole is Cc1cnc(Cl)cc1Sc1nccs1.
What is the InChIKey of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole?
The InChIKey is LLAPJQJBJXAULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c1-6-5-12-8(10)4-7(6)14-9-11-2-3-13-9/h2-5H,1H3.
What are the key properties of 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole?
2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole has a molecular weight of 242.76 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methyl-4-pyridinyl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 83266672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).