N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

C20H21N5OS — CID 51002098

IUPACN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESN[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H21N5OS/c21-15-7-4-10-25(12-15)18-8-9-22-11-16(18)23-19(26)17-13-27-20(24-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12,21H2,(H,23,26)/t15-/m0/s1
InChIKeyJLGPSJZWENLOLE-HNNXBMFYSA-N
MW379.49 g/mol
LogP3.38
Rot. Bonds4

About N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 51002098) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID51002098
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESN[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H21N5OS/c21-15-7-4-10-25(12-15)18-8-9-22-11-16(18)23-19(26)17-13-27-20(24-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12,21H2,(H,23,26)/t15-/m0/s1
InChIKeyJLGPSJZWENLOLE-HNNXBMFYSA-N
XLogP3.38
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 51002098) is N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is N[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-c3ccccc3)n2)C1.
What is the InChIKey of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is JLGPSJZWENLOLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5OS/c21-15-7-4-10-25(12-15)18-8-9-22-11-16(18)23-19(26)17-13-27-20(24-17)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,15H,4,7,10,12,21H2,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51002098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).