2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

C7H5ClN4S3 — CID 115280336

IUPAC2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2cc(Cl)ncn2)s1
InChIInChI=1S/C7H5ClN4S3/c1-13-6-11-12-7(15-6)14-5-2-4(8)9-3-10-5/h2-3H,1H3
InChIKeyJCRMUHHAVKBYGV-UHFFFAOYSA-N
MW276.80 g/mol
LogP2.85
Rot. Bonds3

About 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 115280336) has the molecular formula C7H5ClN4S3 and a molecular weight of 276.80 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID115280336
Molecular FormulaC7H5ClN4S3
Molecular Weight276.80 g/mol
Exact Mass275.94
IUPAC Name2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2cc(Cl)ncn2)s1
InChIInChI=1S/C7H5ClN4S3/c1-13-6-11-12-7(15-6)14-5-2-4(8)9-3-10-5/h2-3H,1H3
InChIKeyJCRMUHHAVKBYGV-UHFFFAOYSA-N
XLogP2.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.80
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chloropyrimidin-4-yl)sulfanyl-4-ethyl-1,3-thiazole
CID 130992507
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
(1R)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-4-pyridinyl]ethanol
CID 115383973
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886006
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
4-chloro-6-thiophen-2-ylsulfanylpyrimidine
CID 61279172
3,5-dichloro-N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761591
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 115280336) is 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(Sc2cc(Cl)ncn2)s1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is JCRMUHHAVKBYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S3/c1-13-6-11-12-7(15-6)14-5-2-4(8)9-3-10-5/h2-3H,1H3.
What are the key properties of 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 276.80 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 115280336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).