N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

C8H7N5O3S — CID 110702123

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCc1csc(NC(=O)c2n[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H7N5O3S/c1-3-2-17-8(9-3)11-6(15)4-5(14)10-7(16)13-12-4/h2H,1H3,(H,9,11,15)(H2,10,13,14,16)
InChIKeyFAOIDZAHIFZVOV-UHFFFAOYSA-N
MW253.24 g/mol
LogP-0.52
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (PubChem CID 110702123) has the molecular formula C8H7N5O3S and a molecular weight of 253.24 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
PubChem CID110702123
Molecular FormulaC8H7N5O3S
Molecular Weight253.24 g/mol
Exact Mass253.03
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
SMILESCc1csc(NC(=O)c2n[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H7N5O3S/c1-3-2-17-8(9-3)11-6(15)4-5(14)10-7(16)13-12-4/h2H,1H3,(H,9,11,15)(H2,10,13,14,16)
InChIKeyFAOIDZAHIFZVOV-UHFFFAOYSA-N
XLogP-0.52
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
3-amino-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 18138823
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide;oxane
CID 144986620
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide (CID 110702123) is N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is Cc1csc(NC(=O)c2n[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
The InChIKey is FAOIDZAHIFZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3S/c1-3-2-17-8(9-3)11-6(15)4-5(14)10-7(16)13-12-4/h2H,1H3,(H,9,11,15)(H2,10,13,14,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide has a molecular weight of 253.24 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 110702123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).