2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

C8H7ClN4S2 — CID 62481556

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nc(Cl)cc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H7ClN4S2/c1-4-10-6(9)3-7(11-4)15-8-13-12-5(2)14-8/h3H,1-2H3
InChIKeyZYHYURWHDQKHTL-UHFFFAOYSA-N
MW258.76 g/mol
LogP2.75
Rot. Bonds2

About 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 62481556) has the molecular formula C8H7ClN4S2 and a molecular weight of 258.76 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID62481556
Molecular FormulaC8H7ClN4S2
Molecular Weight258.76 g/mol
Exact Mass257.98
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nc(Cl)cc(Sc2nnc(C)s2)n1
InChIInChI=1S/C8H7ClN4S2/c1-4-10-6(9)3-7(11-4)15-8-13-12-5(2)14-8/h3H,1-2H3
InChIKeyZYHYURWHDQKHTL-UHFFFAOYSA-N
XLogP2.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (CID 62481556) is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is Cc1nc(Cl)cc(Sc2nnc(C)s2)n1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is ZYHYURWHDQKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S2/c1-4-10-6(9)3-7(11-4)15-8-13-12-5(2)14-8/h3H,1-2H3.
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 258.76 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 62481556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).