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

C8H7ClN4S3 — CID 115383155

IUPAC2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2nc(Cl)ncc2C)s1
InChIInChI=1S/C8H7ClN4S3/c1-4-3-10-6(9)11-5(4)15-8-13-12-7(14-2)16-8/h3H,1-2H3
InChIKeyVFGLNVAABALXBG-UHFFFAOYSA-N
MW290.83 g/mol
LogP3.16
Rot. Bonds3

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

2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 115383155) has the molecular formula C8H7ClN4S3 and a molecular weight of 290.83 g/mol. Its IUPAC name is 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID115383155
Molecular FormulaC8H7ClN4S3
Molecular Weight290.83 g/mol
Exact Mass289.95
IUPAC Name2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2nc(Cl)ncc2C)s1
InChIInChI=1S/C8H7ClN4S3/c1-4-3-10-6(9)11-5(4)15-8-13-12-7(14-2)16-8/h3H,1-2H3
InChIKeyVFGLNVAABALXBG-UHFFFAOYSA-N
XLogP3.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79073930
2-[(2-chloro-7H-purin-6-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 104787570
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
5-(2-chloro-5-methylpyrimidin-4-yl)sulfanylpyrimidin-2-amine
CID 89255962
2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
CID 79073513
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383283
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335328
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336
2-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 103322977
2-chloro-4-(3-methoxyphenyl)sulfanyl-5-methylpyrimidine
CID 79073515

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 115383155) is 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(Sc2nc(Cl)ncc2C)s1.
What is the InChIKey of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is VFGLNVAABALXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4S3/c1-4-3-10-6(9)11-5(4)15-8-13-12-7(14-2)16-8/h3H,1-2H3.
What are the key properties of 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 290.83 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 115383155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).