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

C7H4ClFN4S2 — CID 79076628

IUPAC2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(Cl)ncc2F)s1
InChIInChI=1S/C7H4ClFN4S2/c1-3-12-13-7(14-3)15-5-4(9)2-10-6(8)11-5/h2H,1H3
InChIKeyTVUQRQLXJPTIIK-UHFFFAOYSA-N
MW262.72 g/mol
LogP2.58
Rot. Bonds2

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

2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 79076628) has the molecular formula C7H4ClFN4S2 and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID79076628
Molecular FormulaC7H4ClFN4S2
Molecular Weight262.72 g/mol
Exact Mass261.95
IUPAC Name2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2nc(Cl)ncc2F)s1
InChIInChI=1S/C7H4ClFN4S2/c1-3-12-13-7(14-3)15-5-4(9)2-10-6(8)11-5/h2H,1H3
InChIKeyTVUQRQLXJPTIIK-UHFFFAOYSA-N
XLogP2.58
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-fluoropyrimidine
CID 79075265
5-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 79075270
2-chloro-5-fluoro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79075485
2-Chloro-5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 79075593
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3,4-thiadiazole
CID 79075595
2-Chloro-5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidine
CID 79075596
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-oxadiazole
CID 79075708
2-Chloro-5-fluoro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 79076832
2-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79076834
2-Chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoropyrimidine
CID 79076835
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-1,2,4-thiadiazole
CID 80426536
5-(2-Chloro-5-fluoropyrimidin-4-yl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 80426679

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (CID 79076628) is 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2nc(Cl)ncc2F)s1.
What is the InChIKey of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is TVUQRQLXJPTIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4S2/c1-3-12-13-7(14-3)15-5-4(9)2-10-6(8)11-5/h2H,1H3.
What are the key properties of 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 262.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 79076628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).