3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid

C10H9N3O4S — CID 19029540

IUPAC3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
SMILESCCc1nnc(NC(=O)c2ccoc2C(=O)O)s1
InChIInChI=1S/C10H9N3O4S/c1-2-6-12-13-10(18-6)11-8(14)5-3-4-17-7(5)9(15)16/h3-4H,2H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyYUMYSSIHYHJCFW-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.64
Rot. Bonds4

About 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid

3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid (PubChem CID 19029540) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
PubChem CID19029540
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC Name3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
SMILESCCc1nnc(NC(=O)c2ccoc2C(=O)O)s1
InChIInChI=1S/C10H9N3O4S/c1-2-6-12-13-10(18-6)11-8(14)5-3-4-17-7(5)9(15)16/h3-4H,2H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyYUMYSSIHYHJCFW-UHFFFAOYSA-N
XLogP1.64
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-3-carboxylic acid
CID 19029457
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(furan-2-yl)furan-2-carboxamide
CID 71690111
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid (CID 19029540) is 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid is CCc1nnc(NC(=O)c2ccoc2C(=O)O)s1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid?
The InChIKey is YUMYSSIHYHJCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c1-2-6-12-13-10(18-6)11-8(14)5-3-4-17-7(5)9(15)16/h3-4H,2H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid?
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 19029540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).