2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C17H23ClN4O2S — CID 119760388

IUPAC2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-10(2)8-19-16(22)12-4-5-13(11(3)6-12)21-17(23)14-9-24-15(7-18)20-14;/h4-6,9-10H,7-8,18H2,1-3H3,(H,19,22)(H,21,23);1H
InChIKeyPSFGHAQHDGQAIA-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.97
Rot. Bonds6

About 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119760388) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119760388
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC Name2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-10(2)8-19-16(22)12-4-5-13(11(3)6-12)21-17(23)14-9-24-15(7-18)20-14;/h4-6,9-10H,7-8,18H2,1-3H3,(H,19,22)(H,21,23);1H
InChIKeyPSFGHAQHDGQAIA-UHFFFAOYSA-N
XLogP2.97
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 49340132
2-(aminomethyl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119759911
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119739998
2-amino-N-[4-(ethylcarbamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 62787362
2-(aminomethyl)-N-(4-butoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119739426
3-methoxy-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 122159202
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617706
4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119760388) is 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1csc(CN)n1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is PSFGHAQHDGQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.ClH/c1-10(2)8-19-16(22)12-4-5-13(11(3)6-12)21-17(23)14-9-24-15(7-18)20-14;/h4-6,9-10H,7-8,18H2,1-3H3,(H,19,22)(H,21,23);1H.
What are the key properties of 2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 2.97, 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-methyl-4-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119760388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).