2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole

C8H6ClN3S2 — CID 79073930

IUPAC2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
SMILESCc1cnc(Cl)nc1Sc1nccs1
InChIInChI=1S/C8H6ClN3S2/c1-5-4-11-7(9)12-6(5)14-8-10-2-3-13-8/h2-4H,1H3
InChIKeyCJENPODKYGSENI-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole

2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole (PubChem CID 79073930) has the molecular formula C8H6ClN3S2 and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
PubChem CID79073930
Molecular FormulaC8H6ClN3S2
Molecular Weight243.74 g/mol
Exact Mass242.97
IUPAC Name2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
SMILESCc1cnc(Cl)nc1Sc1nccs1
InChIInChI=1S/C8H6ClN3S2/c1-5-4-11-7(9)12-6(5)14-8-10-2-3-13-8/h2-4H,1H3
InChIKeyCJENPODKYGSENI-UHFFFAOYSA-N
XLogP3.05
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole (CID 79073930) is 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole is Cc1cnc(Cl)nc1Sc1nccs1.
What is the InChIKey of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole?
The InChIKey is CJENPODKYGSENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S2/c1-5-4-11-7(9)12-6(5)14-8-10-2-3-13-8/h2-4H,1H3.
What are the key properties of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole?
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole has a molecular weight of 243.74 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 79073930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).