N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide

C13H16N6OS — CID 175648747

IUPACN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1nsc(N2CCC(NC(=O)c3ccncn3)CC2)n1
InChIInChI=1S/C13H16N6OS/c1-9-16-13(21-18-9)19-6-3-10(4-7-19)17-12(20)11-2-5-14-8-15-11/h2,5,8,10H,3-4,6-7H2,1H3,(H,17,20)
InChIKeyMVTFEHCERRLXFM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.04
Rot. Bonds3

About N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide

N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide (PubChem CID 175648747) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide
PubChem CID175648747
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide
SMILESCc1nsc(N2CCC(NC(=O)c3ccncn3)CC2)n1
InChIInChI=1S/C13H16N6OS/c1-9-16-13(21-18-9)19-6-3-10(4-7-19)17-12(20)11-2-5-14-8-15-11/h2,5,8,10H,3-4,6-7H2,1H3,(H,17,20)
InChIKeyMVTFEHCERRLXFM-UHFFFAOYSA-N
XLogP1.04
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide 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

N-[1-(4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175650848
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
N-[1-(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649352
N-cyclopropyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
CID 163345339
N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648871
N-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900415
N-[1-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993892
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
N-[1-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172903854
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649289
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133320499
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887407

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide (CID 175648747) is N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide is Cc1nsc(N2CCC(NC(=O)c3ccncn3)CC2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is MVTFEHCERRLXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9-16-13(21-18-9)19-6-3-10(4-7-19)17-12(20)11-2-5-14-8-15-11/h2,5,8,10H,3-4,6-7H2,1H3,(H,17,20).
What are the key properties of N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide?
N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).