5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide

C7H8ClN3OS — CID 80617834

IUPAC5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC1CC1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C7H8ClN3OS/c1-3-2-4(3)9-5(12)6-10-11-7(8)13-6/h3-4H,2H2,1H3,(H,9,12)
InChIKeyVBJNJLQIQIEQSL-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.33
Rot. Bonds2

About 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617834) has the molecular formula C7H8ClN3OS and a molecular weight of 217.68 g/mol. Its IUPAC name is 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617834
Molecular FormulaC7H8ClN3OS
Molecular Weight217.68 g/mol
Exact Mass217.01
IUPAC Name5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC1CC1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C7H8ClN3OS/c1-3-2-4(3)9-5(12)6-10-11-7(8)13-6/h3-4H,2H2,1H3,(H,9,12)
InChIKeyVBJNJLQIQIEQSL-UHFFFAOYSA-N
XLogP1.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617834) is 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide is CC1CC1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VBJNJLQIQIEQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3OS/c1-3-2-4(3)9-5(12)6-10-11-7(8)13-6/h3-4H,2H2,1H3,(H,9,12).
What are the key properties of 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 217.68 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylcyclopropyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).