2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

C11H20ClN3O2S — CID 120628805

IUPAC2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCC(C)(C)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-11(2,7-16-3)14-10(15)8-6-17-9(13-8)4-5-12;/h6H,4-5,7,12H2,1-3H3,(H,14,15);1H
InChIKeyUACDAQGMGSNJJB-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.22
Rot. Bonds6

About 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120628805) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120628805
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOCC(C)(C)NC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-11(2,7-16-3)14-10(15)8-6-17-9(13-8)4-5-12;/h6H,4-5,7,12H2,1-3H3,(H,14,15);1H
InChIKeyUACDAQGMGSNJJB-UHFFFAOYSA-N
XLogP1.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616584
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
ethyl 2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 120630693
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
2-(2-aminoethyl)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 120630938
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618626
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
CID 120632197
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
methyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate
CID 66390867
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620357
2-(2-aminoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120628805) is 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is COCC(C)(C)NC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is UACDAQGMGSNJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.ClH/c1-11(2,7-16-3)14-10(15)8-6-17-9(13-8)4-5-12;/h6H,4-5,7,12H2,1-3H3,(H,14,15);1H.
What are the key properties of 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-methoxy-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120628805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).