2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride

C16H28ClN3O2S — CID 120638709

IUPAC2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOC1CC(NC(=O)c2csc(CCN)n2)C1(CC)CC.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-4-16(5-2)12(9-13(16)21-6-3)19-15(20)11-10-22-14(18-11)7-8-17;/h10,12-13H,4-9,17H2,1-3H3,(H,19,20);1H
InChIKeyUKXXDBFNZLQSOE-UHFFFAOYSA-N
MW361.94 g/mol
LogP2.78
Rot. Bonds8

About 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120638709) has the molecular formula C16H28ClN3O2S and a molecular weight of 361.94 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120638709
Molecular FormulaC16H28ClN3O2S
Molecular Weight361.94 g/mol
Exact Mass361.16
IUPAC Name2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCOC1CC(NC(=O)c2csc(CCN)n2)C1(CC)CC.Cl
InChIInChI=1S/C16H27N3O2S.ClH/c1-4-16(5-2)12(9-13(16)21-6-3)19-15(20)11-10-22-14(18-11)7-8-17;/h10,12-13H,4-9,17H2,1-3H3,(H,19,20);1H
InChIKeyUKXXDBFNZLQSOE-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-1,3-thiazole-4-carboxamide
CID 120638636
2-(2-aminoethyl)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638436
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625820
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
ethyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630693

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120638709) is 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride is CCOC1CC(NC(=O)c2csc(CCN)n2)C1(CC)CC.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is UKXXDBFNZLQSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.ClH/c1-4-16(5-2)12(9-13(16)21-6-3)19-15(20)11-10-22-14(18-11)7-8-17;/h10,12-13H,4-9,17H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 361.94 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).