2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

C15H19ClN4O2S — CID 119762813

IUPAC2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2csc(CN)n2)c1.Cl
InChIInChI=1S/C15H18N4O2S.ClH/c1-10-3-2-4-11(7-10)19(6-5-13(17)20)15(21)12-9-22-14(8-16)18-12;/h2-4,7,9H,5-6,8,16H2,1H3,(H2,17,20);1H
InChIKeyOUTOCBFIEVFOPH-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.85
Rot. Bonds6

About 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119762813) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119762813
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)c2csc(CN)n2)c1.Cl
InChIInChI=1S/C15H18N4O2S.ClH/c1-10-3-2-4-11(7-10)19(6-5-13(17)20)15(21)12-9-22-14(8-16)18-12;/h2-4,7,9H,5-6,8,16H2,1H3,(H2,17,20);1H
InChIKeyOUTOCBFIEVFOPH-UHFFFAOYSA-N
XLogP1.85
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831790
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CID 119803293
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640026
N-(3-amino-3-sulfanylidenepropyl)-2-methyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 65200020
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119311457
N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 120610142
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
2-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-butyl-1,3-thiazole-4-carboxamide
CID 66376879
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
2-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 119762813) is 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cc1cccc(N(CCC(N)=O)C(=O)c2csc(CN)n2)c1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is OUTOCBFIEVFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S.ClH/c1-10-3-2-4-11(7-10)19(6-5-13(17)20)15(21)12-9-22-14(8-16)18-12;/h2-4,7,9H,5-6,8,16H2,1H3,(H2,17,20);1H.
What are the key properties of 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119762813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).