2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

C17H20N4O2S — CID 120633333

IUPAC2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCCN(c3ccccc3)C2=O)cs1
InChIInChI=1S/C17H20N4O2S/c18-9-8-15-19-14(11-24-15)16(22)20-13-7-4-10-21(17(13)23)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10,18H2,(H,20,22)
InChIKeyOIKVGNPUTJPRRM-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120633333) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID120633333
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCCN(c3ccccc3)C2=O)cs1
InChIInChI=1S/C17H20N4O2S/c18-9-8-15-19-14(11-24-15)16(22)20-13-7-4-10-21(17(13)23)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10,18H2,(H,20,22)
InChIKeyOIKVGNPUTJPRRM-UHFFFAOYSA-N
XLogP1.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120637990
2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120636505
2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 114094153
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119798476
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
2-(2-aminoethyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120618851
2-(2-aminoethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120618775
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide (CID 120633333) is 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC2CCCN(c3ccccc3)C2=O)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OIKVGNPUTJPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-9-8-15-19-14(11-24-15)16(22)20-13-7-4-10-21(17(13)23)12-5-2-1-3-6-12/h1-3,5-6,11,13H,4,7-10,18H2,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120633333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).