2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide

C18H23N3OS — CID 120639023

IUPAC2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC2(Cc3ccccc3)CCC2)cs1
InChIInChI=1S/C18H23N3OS/c19-10-7-16-21-15(12-23-16)17(22)20-13-18(8-4-9-18)11-14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13,19H2,(H,20,22)
InChIKeySKHCLSICROJNDQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.79
Rot. Bonds7

About 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120639023) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID120639023
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCC2(Cc3ccccc3)CCC2)cs1
InChIInChI=1S/C18H23N3OS/c19-10-7-16-21-15(12-23-16)17(22)20-13-18(8-4-9-18)11-14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13,19H2,(H,20,22)
InChIKeySKHCLSICROJNDQ-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120639022
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
2-(2-aminoethyl)-N-[(1-propoxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638669
2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(2-aminoethyl)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635450
2-(2-aminoethyl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 120643873
2-(2-aminoethyl)-N-(2-benzylsulfinylethyl)-1,3-thiazole-4-carboxamide
CID 120632032
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide (CID 120639023) is 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCC2(Cc3ccccc3)CCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SKHCLSICROJNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c19-10-7-16-21-15(12-23-16)17(22)20-13-18(8-4-9-18)11-14-5-2-1-3-6-14/h1-3,5-6,12H,4,7-11,13,19H2,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120639023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).