5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid

C8H11N3O4S — CID 90270975

IUPAC5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nnc(C(=O)O)s1
InChIInChI=1S/C8H11N3O4S/c1-8(2,3)15-7(14)9-6-11-10-4(16-6)5(12)13/h1-3H3,(H,12,13)(H,9,11,14)
InChIKeyYGJSWEBUTYMHOO-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.58
Rot. Bonds2

About 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid

5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid (PubChem CID 90270975) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid
PubChem CID90270975
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1nnc(C(=O)O)s1
InChIInChI=1S/C8H11N3O4S/c1-8(2,3)15-7(14)9-6-11-10-4(16-6)5(12)13/h1-3H3,(H,12,13)(H,9,11,14)
InChIKeyYGJSWEBUTYMHOO-UHFFFAOYSA-N
XLogP1.58
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-fluoro-4-methyl-1,3-thiazol-2-yl)carbamate
CID 45117835
5-[[4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexyl]benzoyl]amino]-1,3,4-thiadiazole-2-carboxylic acid
CID 66740025
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
CID 2756763
tert-butyl N-[5-(2-bromoacetyl)-1,3-thiazol-2-yl]carbamate
CID 118106608
tert-butyl N-(5-bromo-4-formyl-1,3-thiazol-2-yl)carbamate;methoxymethane
CID 143508847
2-hydroxy-2-[5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]acetic acid
CID 155681243
1,3,4-thiadiazole-2,5-dicarboxylic acid
CID 18690336
tert-butyl N-(5-carbonochloridoyl-1,3-thiazol-2-yl)carbamate
CID 45117870
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
tert-butyl N-(4-deuterio-1,3-thiazol-2-yl)carbamate
CID 175778642
tert-butyl N-[5-[1-[tert-butyl(diphenyl)-λ4-sulfanyl]oxy-2-methylpropan-2-yl]-1,3,4-thiadiazol-2-yl]carbamate;molecular hydrogen
CID 143964670
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid (CID 90270975) is 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid is CC(C)(C)OC(=O)Nc1nnc(C(=O)O)s1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid?
The InChIKey is YGJSWEBUTYMHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-8(2,3)15-7(14)9-6-11-10-4(16-6)5(12)13/h1-3H3,(H,12,13)(H,9,11,14).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4-thiadiazole-2-carboxylic acid is sourced from PubChem (CID 90270975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).