2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide

C13H21N3OS — CID 125024082

IUPAC2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CN1CCCC[C@@H]1c1ncc(C(N)=O)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)8-16-6-4-3-5-10(16)13-15-7-11(18-13)12(14)17/h7,9-10H,3-6,8H2,1-2H3,(H2,14,17)/t10-/m1/s1
InChIKeyZCWZNYFVXVIWCQ-SNVBAGLBSA-N
MW267.40 g/mol
LogP2.42
Rot. Bonds4

About 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide

2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 125024082) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID125024082
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)CN1CCCC[C@@H]1c1ncc(C(N)=O)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)8-16-6-4-3-5-10(16)13-15-7-11(18-13)12(14)17/h7,9-10H,3-6,8H2,1-2H3,(H2,14,17)/t10-/m1/s1
InChIKeyZCWZNYFVXVIWCQ-SNVBAGLBSA-N
XLogP2.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125019699
2-[1-[(2-fluorophenyl)methyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 110109904
2-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125009220
2-[(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124940784
2-[(2S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124946578
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090687
N,N-dimethyl-2-(1-pyrimidin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095106
2-[(2R)-1-(2-pyridin-3-ylacetyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 125024121
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 125008264
5-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]-N-(1-methyltriazol-4-yl)thiophene-2-carboxamide
CID 31125678
tert-butyl N-[5-[1-(2-methylpropyl)piperidin-2-yl]-2-pyridinyl]-N-propan-2-ylcarbamate
CID 102540942

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide (CID 125024082) is 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide is CC(C)CN1CCCC[C@@H]1c1ncc(C(N)=O)s1.
What is the InChIKey of 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZCWZNYFVXVIWCQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)8-16-6-4-3-5-10(16)13-15-7-11(18-13)12(14)17/h7,9-10H,3-6,8H2,1-2H3,(H2,14,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide?
2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125024082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).