5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H14ClN5S2 — CID 80977947

IUPAC5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1c(Cl)nc(C2CC2)nc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H14ClN5S2/c1-6-8(13)14-9(7-4-5-7)15-10(6)19-12-17-16-11(20-12)18(2)3/h7H,4-5H2,1-3H3
InChIKeyXUUZCJBVJUKSMW-UHFFFAOYSA-N
MW327.87 g/mol
LogP3.38
Rot. Bonds4

About 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80977947) has the molecular formula C12H14ClN5S2 and a molecular weight of 327.87 g/mol. Its IUPAC name is 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80977947
Molecular FormulaC12H14ClN5S2
Molecular Weight327.87 g/mol
Exact Mass327.04
IUPAC Name5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1c(Cl)nc(C2CC2)nc1Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H14ClN5S2/c1-6-8(13)14-9(7-4-5-7)15-10(6)19-12-17-16-11(20-12)18(2)3/h7H,4-5H2,1-3H3
InChIKeyXUUZCJBVJUKSMW-UHFFFAOYSA-N
XLogP3.38
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.87
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80990298
5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
CID 80975528
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
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
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 80978200
5-[(2-chloro-7H-purin-6-yl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 104787555
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114563049
5-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106768733
5-[(3-bromo-5-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 105368475
5-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 102761208
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80977947) is 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1c(Cl)nc(C2CC2)nc1Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XUUZCJBVJUKSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5S2/c1-6-8(13)14-9(7-4-5-7)15-10(6)19-12-17-16-11(20-12)18(2)3/h7H,4-5H2,1-3H3.
What are the key properties of 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 327.87 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80977947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).