2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C18H23N5O2S — CID 120619547

IUPAC2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N5O2S/c19-9-6-16-22-15(12-26-16)17(24)20-14-7-10-23(11-8-14)18(25)21-13-4-2-1-3-5-13/h1-5,12,14H,6-11,19H2,(H,20,24)(H,21,25)
InChIKeyFLZSNUCUKNJHAN-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120619547) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID120619547
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N5O2S/c19-9-6-16-22-15(12-26-16)17(24)20-14-7-10-23(11-8-14)18(25)21-13-4-2-1-3-5-13/h1-5,12,14H,6-11,19H2,(H,20,24)(H,21,25)
InChIKeyFLZSNUCUKNJHAN-UHFFFAOYSA-N
XLogP2.07
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 120643504
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120638873
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120624899
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120633333
2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619724
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 120619547) is 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is FLZSNUCUKNJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c19-9-6-16-22-15(12-26-16)17(24)20-14-7-10-23(11-8-14)18(25)21-13-4-2-1-3-5-13/h1-5,12,14H,6-11,19H2,(H,20,24)(H,21,25).
What are the key properties of 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120619547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).