2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C10H12N6OS — CID 114387542

IUPAC2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2sc(N)nc2C)nc1C
InChIInChI=1S/C10H12N6OS/c1-4-5(2)15-16-10(13-4)14-8(17)7-6(3)12-9(11)18-7/h1-3H3,(H2,11,12)(H,13,14,16,17)
InChIKeyJNIVXOHTIVKBGU-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.09
Rot. Bonds2

About 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 114387542) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID114387542
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nnc(NC(=O)c2sc(N)nc2C)nc1C
InChIInChI=1S/C10H12N6OS/c1-4-5(2)15-16-10(13-4)14-8(17)7-6(3)12-9(11)18-7/h1-3H3,(H2,11,12)(H,13,14,16,17)
InChIKeyJNIVXOHTIVKBGU-UHFFFAOYSA-N
XLogP1.09
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-N-(2-amino-2-oxoethoxy)-4-methyl-1,3-thiazole-5-carboxamide
CID 112674174
2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)-1,3-thiazole-5-carboxamide
CID 107641671
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 63822437
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104872498
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 114387542) is 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nnc(NC(=O)c2sc(N)nc2C)nc1C.
What is the InChIKey of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JNIVXOHTIVKBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-4-5(2)15-16-10(13-4)14-8(17)7-6(3)12-9(11)18-7/h1-3H3,(H2,11,12)(H,13,14,16,17).
What are the key properties of 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114387542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).