4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide

C13H16N6OS — CID 45204680

IUPAC4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H16N6OS/c1-9-11(21-18-17-9)12(20)16-10-4-2-7-19(8-10)13-14-5-3-6-15-13/h3,5-6,10H,2,4,7-8H2,1H3,(H,16,20)
InChIKeyBOFLBVGWQVLBCY-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.04
Rot. Bonds3

About 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide

4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide (PubChem CID 45204680) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide
PubChem CID45204680
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H16N6OS/c1-9-11(21-18-17-9)12(20)16-10-4-2-7-19(8-10)13-14-5-3-6-15-13/h3,5-6,10H,2,4,7-8H2,1H3,(H,16,20)
InChIKeyBOFLBVGWQVLBCY-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide (CID 45204680) is 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide?
The InChIKey is BOFLBVGWQVLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9-11(21-18-17-9)12(20)16-10-4-2-7-19(8-10)13-14-5-3-6-15-13/h3,5-6,10H,2,4,7-8H2,1H3,(H,16,20).
What are the key properties of 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide?
4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-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 4-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45204680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).