2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

C15H17Cl2N3OS — CID 119763063

IUPAC2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1csc(CN)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3OS/c1-15(2,9-3-4-10(16)11(17)5-9)8-19-14(21)12-7-22-13(6-18)20-12/h3-5,7H,6,8,18H2,1-2H3,(H,19,21)
InChIKeyQFXOTGAOWHYQSB-UHFFFAOYSA-N
MW358.29 g/mol
LogP3.62
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 119763063) has the molecular formula C15H17Cl2N3OS and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID119763063
Molecular FormulaC15H17Cl2N3OS
Molecular Weight358.29 g/mol
Exact Mass357.05
IUPAC Name2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1csc(CN)n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3OS/c1-15(2,9-3-4-10(16)11(17)5-9)8-19-14(21)12-7-22-13(6-18)20-12/h3-5,7H,6,8,18H2,1-2H3,(H,19,21)
InChIKeyQFXOTGAOWHYQSB-UHFFFAOYSA-N
XLogP3.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66377096
2-(2-aminoethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 120631655
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[2-(4-bromophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377238
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66377996
2-(2-aminoethyl)-N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620358
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66381003
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292356

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (CID 119763063) is 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is CC(C)(CNC(=O)c1csc(CN)n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QFXOTGAOWHYQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3OS/c1-15(2,9-3-4-10(16)11(17)5-9)8-19-14(21)12-7-22-13(6-18)20-12/h3-5,7H,6,8,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(3,4-dichlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119763063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).