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

C9H7ClN2S — CID 130757780

IUPAC4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(Cl)ccn2)cs1
InChIInChI=1S/C9H7ClN2S/c1-6-12-9(5-13-6)8-4-7(10)2-3-11-8/h2-5H,1H3
InChIKeyHHTPOPWOSDATNF-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.17
Rot. Bonds1

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

4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole (PubChem CID 130757780) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole
PubChem CID130757780
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cc(Cl)ccn2)cs1
InChIInChI=1S/C9H7ClN2S/c1-6-12-9(5-13-6)8-4-7(10)2-3-11-8/h2-5H,1H3
InChIKeyHHTPOPWOSDATNF-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole (CID 130757780) is 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole is Cc1nc(-c2cc(Cl)ccn2)cs1.
What is the InChIKey of 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole?
The InChIKey is HHTPOPWOSDATNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c1-6-12-9(5-13-6)8-4-7(10)2-3-11-8/h2-5H,1H3.
What are the key properties of 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole?
4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole has a molecular weight of 210.69 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-pyridinyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 130757780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).