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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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).