2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride

C11H20ClN3O2S — CID 119784039

IUPAC2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-3-7(2)9(15)5-13-11(16)8-6-17-10(4-12)14-8;/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,16);1H
InChIKeyYKXLLDDBCZAMKA-UHFFFAOYSA-N
MW293.82 g/mol
LogP1.16
Rot. Bonds6

About 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119784039) has the molecular formula C11H20ClN3O2S and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119784039
Molecular FormulaC11H20ClN3O2S
Molecular Weight293.82 g/mol
Exact Mass293.10
IUPAC Name2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCCC(C)C(O)CNC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C11H19N3O2S.ClH/c1-3-7(2)9(15)5-13-11(16)8-6-17-10(4-12)14-8;/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,16);1H
InChIKeyYKXLLDDBCZAMKA-UHFFFAOYSA-N
XLogP1.16
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-(2-ethoxypropyl)-1,3-thiazole-4-carboxamide
CID 115739469
methyl (2S,3S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate;hydrochloride
CID 119748437
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 103814423
2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119900142
ethyl 2-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-phenylpropanoate;hydrochloride
CID 119755403
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119784039) is 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride is CCC(C)C(O)CNC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is YKXLLDDBCZAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.ClH/c1-3-7(2)9(15)5-13-11(16)8-6-17-10(4-12)14-8;/h6-7,9,15H,3-5,12H2,1-2H3,(H,13,16);1H.
What are the key properties of 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119784039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).