5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine

C13H17ClN6S — CID 155942310

IUPAC5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nsc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C13H17ClN6S/c1-9-17-13(21-18-9)20-5-3-11(4-6-20)19(2)12-15-7-10(14)8-16-12/h7-8,11H,3-6H2,1-2H3
InChIKeyDQXJOVJAYMKKQV-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine

5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 155942310) has the molecular formula C13H17ClN6S and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID155942310
Molecular FormulaC13H17ClN6S
Molecular Weight324.84 g/mol
Exact Mass324.09
IUPAC Name5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nsc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C13H17ClN6S/c1-9-17-13(21-18-9)20-5-3-11(4-6-20)19(2)12-15-7-10(14)8-16-12/h7-8,11H,3-6H2,1-2H3
InChIKeyDQXJOVJAYMKKQV-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
5-chloro-N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
CID 163345578
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
5-chloro-N-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163345440
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
CID 171691306
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 154580735
5-[3-(chloromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 65273292
5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
CID 75377306
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 155980999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine (CID 155942310) is 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine is Cc1nsc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is DQXJOVJAYMKKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6S/c1-9-17-13(21-18-9)20-5-3-11(4-6-20)19(2)12-15-7-10(14)8-16-12/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 324.84 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 155942310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).