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

C10H14N2O4S2 — CID 113306891

IUPAC5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC2(C)CCS(=O)(=O)C2)nc1C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-6-7(8(13)14)11-9(17-6)12-10(2)3-4-18(15,16)5-10/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKXGNIQGOCGLPTG-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.14
Rot. Bonds3

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

5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 113306891) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID113306891
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC2(C)CCS(=O)(=O)C2)nc1C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-6-7(8(13)14)11-9(17-6)12-10(2)3-4-18(15,16)5-10/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyKXGNIQGOCGLPTG-UHFFFAOYSA-N
XLogP1.14
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 113306891) is 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid is Cc1sc(NC2(C)CCS(=O)(=O)C2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KXGNIQGOCGLPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-6-7(8(13)14)11-9(17-6)12-10(2)3-4-18(15,16)5-10/h3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113306891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).