5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride

C6H8ClN3OS — CID 69470000

IUPAC5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nnc(C2CC2)s1
InChIInChI=1S/C6H7N3OS.ClH/c7-4(10)6-9-8-5(11-6)3-1-2-3;/h3H,1-2H2,(H2,7,10);1H
InChIKeyYKNWDGQJEANIBX-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.94
Rot. Bonds2

About 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride

5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride (PubChem CID 69470000) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride
PubChem CID69470000
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nnc(C2CC2)s1
InChIInChI=1S/C6H7N3OS.ClH/c7-4(10)6-9-8-5(11-6)3-1-2-3;/h3H,1-2H2,(H2,7,10);1H
InChIKeyYKNWDGQJEANIBX-UHFFFAOYSA-N
XLogP0.94
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride (CID 69470000) is 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride is Cl.NC(=O)c1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride?
The InChIKey is YKNWDGQJEANIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS.ClH/c7-4(10)6-9-8-5(11-6)3-1-2-3;/h3H,1-2H2,(H2,7,10);1H.
What are the key properties of 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride?
5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride has a molecular weight of 205.67 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,3,4-thiadiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 69470000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).