2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H23ClN4O2S — CID 120621017

IUPAC2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)c2csc(CCN)n2)c1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-17(2,3)21-15(22)11-5-4-6-12(9-11)19-16(23)13-10-24-14(20-13)7-8-18;/h4-6,9-10H,7-8,18H2,1-3H3,(H,19,23)(H,21,22);1H
InChIKeyVUHTVKVUAZGHRE-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120621017) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120621017
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC Name2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)c2csc(CCN)n2)c1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-17(2,3)21-15(22)11-5-4-6-12(9-11)19-16(23)13-10-24-14(20-13)7-8-18;/h4-6,9-10H,7-8,18H2,1-3H3,(H,19,23)(H,21,22);1H
InChIKeyVUHTVKVUAZGHRE-UHFFFAOYSA-N
XLogP2.85
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
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2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
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N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120621017) is 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC(C)(C)NC(=O)c1cccc(NC(=O)c2csc(CCN)n2)c1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is VUHTVKVUAZGHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.ClH/c1-17(2,3)21-15(22)11-5-4-6-12(9-11)19-16(23)13-10-24-14(20-13)7-8-18;/h4-6,9-10H,7-8,18H2,1-3H3,(H,19,23)(H,21,22);1H.
What are the key properties of 2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 2.85, 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-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).