2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide

C8H12N4O2S — CID 62794600

IUPAC2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CNC(=O)c1sc(N)nc1C
InChIInChI=1S/C8H12N4O2S/c1-4-6(15-8(9)12-4)7(14)11-3-5(13)10-2/h3H2,1-2H3,(H2,9,12)(H,10,13)(H,11,14)
InChIKeyVCZNUQCPBZWCCA-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.49
Rot. Bonds3

About 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide (PubChem CID 62794600) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
PubChem CID62794600
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)CNC(=O)c1sc(N)nc1C
InChIInChI=1S/C8H12N4O2S/c1-4-6(15-8(9)12-4)7(14)11-3-5(13)10-2/h3H2,1-2H3,(H2,9,12)(H,10,13)(H,11,14)
InChIKeyVCZNUQCPBZWCCA-UHFFFAOYSA-N
XLogP-0.49
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 62793607
(2S)-3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835738
2-amino-N-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 65106677
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028
2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 113487603
2-amino-N-[2-(ethylsulfamoyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 104872462
2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 106175161

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide (CID 62794600) is 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide is CNC(=O)CNC(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VCZNUQCPBZWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-4-6(15-8(9)12-4)7(14)11-3-5(13)10-2/h3H2,1-2H3,(H2,9,12)(H,10,13)(H,11,14).
What are the key properties of 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 228.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62794600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).