2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide

C14H22N4OS — CID 125175601

IUPAC2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)cs1
InChIInChI=1S/C14H22N4OS/c15-14-17-12(9-20-14)13(19)16-10-4-3-7-18(8-10)11-5-1-2-6-11/h9-11H,1-8H2,(H2,15,17)(H,16,19)/t10-/m0/s1
InChIKeyKLCTZOUMNYEROO-JTQLQIEISA-N
MW294.42 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide

2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 125175601) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID125175601
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)cs1
InChIInChI=1S/C14H22N4OS/c15-14-17-12(9-20-14)13(19)16-10-4-3-7-18(8-10)11-5-1-2-6-11/h9-11H,1-8H2,(H2,15,17)(H,16,19)/t10-/m0/s1
InChIKeyKLCTZOUMNYEROO-JTQLQIEISA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide (CID 125175601) is 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)N[C@H]2CCCN(C3CCCC3)C2)cs1.
What is the InChIKey of 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KLCTZOUMNYEROO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4OS/c15-14-17-12(9-20-14)13(19)16-10-4-3-7-18(8-10)11-5-1-2-6-11/h9-11H,1-8H2,(H2,15,17)(H,16,19)/t10-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-1-cyclopentylpiperidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125175601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).