3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid

C9H8N4O3S2 — CID 79402237

IUPAC3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2cnns2)c1C(=O)O
InChIInChI=1S/C9H8N4O3S2/c1-4-6(9(15)16)8(18-11-4)13(2)7(14)5-3-10-12-17-5/h3H,1-2H3,(H,15,16)
InChIKeyUBFHASIDPZBXPD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.28
Rot. Bonds3

About 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79402237) has the molecular formula C9H8N4O3S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79402237
Molecular FormulaC9H8N4O3S2
Molecular Weight284.32 g/mol
Exact Mass284.00
IUPAC Name3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(N(C)C(=O)c2cnns2)c1C(=O)O
InChIInChI=1S/C9H8N4O3S2/c1-4-6(9(15)16)8(18-11-4)13(2)7(14)5-3-10-12-17-5/h3H,1-2H3,(H,15,16)
InChIKeyUBFHASIDPZBXPD-UHFFFAOYSA-N
XLogP1.28
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-aminobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402906
3-methyl-5-[methyl(1H-pyrrole-2-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 79402389
5-[2,2-dimethylpropanoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401922
5-[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402944
5-[(2,5-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397341
5-[(2,4-dichlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397478
5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397367
5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397486
5-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397625
5-[(2-chloro-6-fluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397655
5-[(5-bromo-2-chlorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397515
5-[(3-ethyl-1-methylpyrazole-4-carbonyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 102810255

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid (CID 79402237) is 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is Cc1nsc(N(C)C(=O)c2cnns2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is UBFHASIDPZBXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3S2/c1-4-6(9(15)16)8(18-11-4)13(2)7(14)5-3-10-12-17-5/h3H,1-2H3,(H,15,16).
What are the key properties of 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl(thiadiazole-5-carbonyl)amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).