2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

C16H21N3OS — CID 119795550

IUPAC2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CC(C)N(C)C(=O)c2csc(CN)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11-4-6-13(7-5-11)8-12(2)19(3)16(20)14-10-21-15(9-17)18-14/h4-7,10,12H,8-9,17H2,1-3H3
InChIKeyKQXDCYJFGLXGGR-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.61
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 119795550) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID119795550
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CC(C)N(C)C(=O)c2csc(CN)n2)cc1
InChIInChI=1S/C16H21N3OS/c1-11-4-6-13(7-5-11)8-12(2)19(3)16(20)14-10-21-15(9-17)18-14/h4-7,10,12H,8-9,17H2,1-3H3
InChIKeyKQXDCYJFGLXGGR-UHFFFAOYSA-N
XLogP2.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
2-(2-aminoethyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66374204
2-(aminomethyl)-N-[(2R,3S)-3-(4-chlorophenyl)butan-2-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 124693506
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
2-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119859473
2-(aminomethyl)-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119892993
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 79470567
2-(aminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119672604
2-(aminomethyl)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 97108607
2-amino-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330274
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120524228
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 119795550) is 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is Cc1ccc(CC(C)N(C)C(=O)c2csc(CN)n2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KQXDCYJFGLXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-4-6-13(7-5-11)8-12(2)19(3)16(20)14-10-21-15(9-17)18-14/h4-7,10,12H,8-9,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119795550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).