5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid

C7H8N2O2S — CID 178137639

IUPAC5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid
SMILESCC1CC1c1nnc(C(=O)O)s1
InChIInChI=1S/C7H8N2O2S/c1-3-2-4(3)5-8-9-6(12-5)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyMYMSFAMCPKJUBB-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.36
Rot. Bonds2

About 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid

5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid (PubChem CID 178137639) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid
PubChem CID178137639
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid
SMILESCC1CC1c1nnc(C(=O)O)s1
InChIInChI=1S/C7H8N2O2S/c1-3-2-4(3)5-8-9-6(12-5)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyMYMSFAMCPKJUBB-UHFFFAOYSA-N
XLogP1.36
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid?
The IUPAC name of 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid (CID 178137639) is 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid?
The canonical SMILES for 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid is CC1CC1c1nnc(C(=O)O)s1.
What is the InChIKey of 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid?
The InChIKey is MYMSFAMCPKJUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-3-2-4(3)5-8-9-6(12-5)7(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid?
5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxylic acid is sourced from PubChem (CID 178137639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).