2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide

C14H16N6O2S — CID 78884556

IUPAC2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C14H16N6O2S/c15-11(21)10-8-18-14(23-10)19-12(22)9-2-6-20(7-3-9)13-16-4-1-5-17-13/h1,4-5,8-9H,2-3,6-7H2,(H2,15,21)(H,18,19,22)
InChIKeyONXVXEPQTCHGFC-UHFFFAOYSA-N
MW332.39 g/mol
LogP0.89
Rot. Bonds4

About 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide

2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 78884556) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID78884556
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(NC(=O)C2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C14H16N6O2S/c15-11(21)10-8-18-14(23-10)19-12(22)9-2-6-20(7-3-9)13-16-4-1-5-17-13/h1,4-5,8-9H,2-3,6-7H2,(H2,15,21)(H,18,19,22)
InChIKeyONXVXEPQTCHGFC-UHFFFAOYSA-N
XLogP0.89
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide (CID 78884556) is 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(NC(=O)C2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is ONXVXEPQTCHGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c15-11(21)10-8-18-14(23-10)19-12(22)9-2-6-20(7-3-9)13-16-4-1-5-17-13/h1,4-5,8-9H,2-3,6-7H2,(H2,15,21)(H,18,19,22).
What are the key properties of 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78884556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).