2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide

C12H17N3O2S — CID 18788295

IUPAC2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(=O)CCC2CCNCC2)n1
InChIInChI=1S/C12H17N3O2S/c13-11(17)9-7-18-12(15-9)10(16)2-1-8-3-5-14-6-4-8/h7-8,14H,1-6H2,(H2,13,17)
InChIKeyHNZNZRSDFSRLPD-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide

2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide (PubChem CID 18788295) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide
PubChem CID18788295
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C(=O)CCC2CCNCC2)n1
InChIInChI=1S/C12H17N3O2S/c13-11(17)9-7-18-12(15-9)10(16)2-1-8-3-5-14-6-4-8/h7-8,14H,1-6H2,(H2,13,17)
InChIKeyHNZNZRSDFSRLPD-UHFFFAOYSA-N
XLogP1.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide (CID 18788295) is 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide is NC(=O)c1csc(C(=O)CCC2CCNCC2)n1.
What is the InChIKey of 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide?
The InChIKey is HNZNZRSDFSRLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-11(17)9-7-18-12(15-9)10(16)2-1-8-3-5-14-6-4-8/h7-8,14H,1-6H2,(H2,13,17).
What are the key properties of 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide?
2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-ylpropanoyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18788295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).