4-butylthiadiazole-5-carboxylic acid

C7H10N2O2S — CID 103691537

IUPAC4-butylthiadiazole-5-carboxylic acid
SMILESCCCCc1nnsc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-3-4-5-6(7(10)11)12-9-8-5/h2-4H2,1H3,(H,10,11)
InChIKeyUWQVMBOPAYDWCX-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.58
Rot. Bonds4

About 4-butylthiadiazole-5-carboxylic acid

4-butylthiadiazole-5-carboxylic acid (PubChem CID 103691537) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-butylthiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-butylthiadiazole-5-carboxylic acid
PubChem CID103691537
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name4-butylthiadiazole-5-carboxylic acid
SMILESCCCCc1nnsc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-2-3-4-5-6(7(10)11)12-9-8-5/h2-4H2,1H3,(H,10,11)
InChIKeyUWQVMBOPAYDWCX-UHFFFAOYSA-N
XLogP1.58
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)thiadiazole-5-carboxylic acid
CID 91113676
4-[(dimethylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214296
4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885510
4-[propan-2-yl-(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 65205936
4-ethylthiadiazole-5-carboxamide
CID 45084470
4-pentyl-1,3-thiazole-5-carboxylic acid
CID 19885521
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
3-[4-(4-propylthiadiazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 65206219
(4-chloropiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65207991
2-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205844
4-[(4-methoxyphenoxy)methyl]thiadiazole-5-carboxylic acid
CID 117214385
2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206041

Frequently Asked Questions

What is the IUPAC name of 4-butylthiadiazole-5-carboxylic acid?
The IUPAC name of 4-butylthiadiazole-5-carboxylic acid (CID 103691537) is 4-butylthiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-butylthiadiazole-5-carboxylic acid?
The canonical SMILES for 4-butylthiadiazole-5-carboxylic acid is CCCCc1nnsc1C(=O)O.
What is the InChIKey of 4-butylthiadiazole-5-carboxylic acid?
The InChIKey is UWQVMBOPAYDWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-4-5-6(7(10)11)12-9-8-5/h2-4H2,1H3,(H,10,11).
What are the key properties of 4-butylthiadiazole-5-carboxylic acid?
4-butylthiadiazole-5-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylthiadiazole-5-carboxylic acid is sourced from PubChem (CID 103691537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).