N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

C13H19N3O3S — CID 164634304

IUPACN-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](O)C(=O)N1CCC(CNC(=O)c2cncs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-9(17)13(19)16-4-2-10(3-5-16)6-15-12(18)11-7-14-8-20-11/h7-10,17H,2-6H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyOOIQADXHCFASEI-VIFPVBQESA-N
MW297.38 g/mol
LogP0.49
Rot. Bonds4

About N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 164634304) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID164634304
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESC[C@H](O)C(=O)N1CCC(CNC(=O)c2cncs2)CC1
InChIInChI=1S/C13H19N3O3S/c1-9(17)13(19)16-4-2-10(3-5-16)6-15-12(18)11-7-14-8-20-11/h7-10,17H,2-6H2,1H3,(H,15,18)/t9-/m0/s1
InChIKeyOOIQADXHCFASEI-VIFPVBQESA-N
XLogP0.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 164634304) is N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is C[C@H](O)C(=O)N1CCC(CNC(=O)c2cncs2)CC1.
What is the InChIKey of N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OOIQADXHCFASEI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(17)13(19)16-4-2-10(3-5-16)6-15-12(18)11-7-14-8-20-11/h7-10,17H,2-6H2,1H3,(H,15,18)/t9-/m0/s1.
What are the key properties of N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164634304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).