2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C18H24N4OS — CID 131894060

IUPAC2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCCC2CCCCN2Cc2ccccc2)s1
InChIInChI=1S/C18H24N4OS/c19-18-21-12-16(24-18)17(23)20-10-9-15-8-4-5-11-22(15)13-14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H2,19,21)(H,20,23)
InChIKeyRMXATYXRORZRDY-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.90
Rot. Bonds6

About 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide

2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 131894060) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID131894060
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESNc1ncc(C(=O)NCCC2CCCCN2Cc2ccccc2)s1
InChIInChI=1S/C18H24N4OS/c19-18-21-12-16(24-18)17(23)20-10-9-15-8-4-5-11-22(15)13-14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H2,19,21)(H,20,23)
InChIKeyRMXATYXRORZRDY-UHFFFAOYSA-N
XLogP2.90
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 125158764
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118775600
1-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 137084168
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
CID 120902751
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 126453267
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97126067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 131894060) is 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide is Nc1ncc(C(=O)NCCC2CCCCN2Cc2ccccc2)s1.
What is the InChIKey of 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RMXATYXRORZRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c19-18-21-12-16(24-18)17(23)20-10-9-15-8-4-5-11-22(15)13-14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H2,19,21)(H,20,23).
What are the key properties of 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 131894060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).