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

C9H7ClN2S2 — CID 63779009

IUPAC2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2ccnc(Cl)c2)n1
InChIInChI=1S/C9H7ClN2S2/c1-6-5-13-9(12-6)14-7-2-3-11-8(10)4-7/h2-5H,1H3
InChIKeyTZOILDSNNPKCQE-UHFFFAOYSA-N
MW242.76 g/mol
LogP3.65
Rot. Bonds2

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

2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 63779009) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID63779009
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sc2ccnc(Cl)c2)n1
InChIInChI=1S/C9H7ClN2S2/c1-6-5-13-9(12-6)14-7-2-3-11-8(10)4-7/h2-5H,1H3
InChIKeyTZOILDSNNPKCQE-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole (CID 63779009) is 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sc2ccnc(Cl)c2)n1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is TZOILDSNNPKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c1-6-5-13-9(12-6)14-7-2-3-11-8(10)4-7/h2-5H,1H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(2-chloro-4-pyridinyl)sulfanyl]-4-methyl-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-4-pyridinyl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 63779009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).