N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide

C12H19N3OS — CID 119429304

IUPACN-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC2CCCNC2)s1
InChIInChI=1S/C12H19N3OS/c1-2-4-11-14-8-10(17-11)12(16)15-9-5-3-6-13-7-9/h8-9,13H,2-7H2,1H3,(H,15,16)
InChIKeyXAYHSMRFSSLOAS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.58
Rot. Bonds4

About N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide

N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 119429304) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID119429304
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC2CCCNC2)s1
InChIInChI=1S/C12H19N3OS/c1-2-4-11-14-8-10(17-11)12(16)15-9-5-3-6-13-7-9/h8-9,13H,2-7H2,1H3,(H,15,16)
InChIKeyXAYHSMRFSSLOAS-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide (CID 119429304) is N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NC2CCCNC2)s1.
What is the InChIKey of N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is XAYHSMRFSSLOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-4-11-14-8-10(17-11)12(16)15-9-5-3-6-13-7-9/h8-9,13H,2-7H2,1H3,(H,15,16).
What are the key properties of N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide?
N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119429304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).