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

C12H13ClN4S2 — CID 80975528

IUPAC5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nc(C3CC3)nc(Cl)c2C)n1
InChIInChI=1S/C12H13ClN4S2/c1-3-8-14-12(19-17-8)18-11-6(2)9(13)15-10(16-11)7-4-5-7/h7H,3-5H2,1-2H3
InChIKeySIZRVQMKWJBQKB-UHFFFAOYSA-N
MW312.85 g/mol
LogP3.88
Rot. Bonds4

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

5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole (PubChem CID 80975528) has the molecular formula C12H13ClN4S2 and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
PubChem CID80975528
Molecular FormulaC12H13ClN4S2
Molecular Weight312.85 g/mol
Exact Mass312.03
IUPAC Name5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2nc(C3CC3)nc(Cl)c2C)n1
InChIInChI=1S/C12H13ClN4S2/c1-3-8-14-12(19-17-8)18-11-6(2)9(13)15-10(16-11)7-4-5-7/h7H,3-5H2,1-2H3
InChIKeySIZRVQMKWJBQKB-UHFFFAOYSA-N
XLogP3.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
CID 80994586
5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80977947
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
4-chloro-2-cyclopropyl-5-methyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80970415
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropan-1-ol
CID 80978828
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714
3,5-dichloro-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-2-amine
CID 102761582
4-chloro-2-cyclopropyl-6-(2,2-difluoroethoxy)-5-methylpyrimidine
CID 82004865
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
4-chloro-2-ethyl-5-methyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidine
CID 107751016
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole (CID 80975528) is 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Sc2nc(C3CC3)nc(Cl)c2C)n1.
What is the InChIKey of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole?
The InChIKey is SIZRVQMKWJBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S2/c1-3-8-14-12(19-17-8)18-11-6(2)9(13)15-10(16-11)7-4-5-7/h7H,3-5H2,1-2H3.
What are the key properties of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole?
5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole has a molecular weight of 312.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 80975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).