2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide

C16H20N4O2S — CID 119685648

IUPAC2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2csc(CN)n2)c(C)c1
InChIInChI=1S/C16H20N4O2S/c1-9-4-10(2)15(11(3)5-9)20-13(21)7-18-16(22)12-8-23-14(6-17)19-12/h4-5,8H,6-7,17H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyIIEIERPQPGRWDW-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.90
Rot. Bonds5

About 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 119685648) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID119685648
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2csc(CN)n2)c(C)c1
InChIInChI=1S/C16H20N4O2S/c1-9-4-10(2)15(11(3)5-9)20-13(21)7-18-16(22)12-8-23-14(6-17)19-12/h4-5,8H,6-7,17H2,1-3H3,(H,18,22)(H,20,21)
InChIKeyIIEIERPQPGRWDW-UHFFFAOYSA-N
XLogP1.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66378376
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3,5-dimethylphenyl)methanone
CID 116585062
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
2-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide (CID 119685648) is 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2csc(CN)n2)c(C)c1.
What is the InChIKey of 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IIEIERPQPGRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9-4-10(2)15(11(3)5-9)20-13(21)7-18-16(22)12-8-23-14(6-17)19-12/h4-5,8H,6-7,17H2,1-3H3,(H,18,22)(H,20,21).
What are the key properties of 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119685648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).