5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride

C6H8Cl2N4OS — CID 131038150

IUPAC5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride
SMILESC=C(Cl)CNC(=O)c1nnsc1N.Cl
InChIInChI=1S/C6H7ClN4OS.ClH/c1-3(7)2-9-6(12)4-5(8)13-11-10-4;/h1-2,8H2,(H,9,12);1H
InChIKeyHMHCMHPOSBEUKB-UHFFFAOYSA-N
MW255.13 g/mol
LogP1.02
Rot. Bonds3

About 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride

5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride (PubChem CID 131038150) has the molecular formula C6H8Cl2N4OS and a molecular weight of 255.13 g/mol. Its IUPAC name is 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride
PubChem CID131038150
Molecular FormulaC6H8Cl2N4OS
Molecular Weight255.13 g/mol
Exact Mass253.98
IUPAC Name5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride
SMILESC=C(Cl)CNC(=O)c1nnsc1N.Cl
InChIInChI=1S/C6H7ClN4OS.ClH/c1-3(7)2-9-6(12)4-5(8)13-11-10-4;/h1-2,8H2,(H,9,12);1H
InChIKeyHMHCMHPOSBEUKB-UHFFFAOYSA-N
XLogP1.02
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride (CID 131038150) is 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride is C=C(Cl)CNC(=O)c1nnsc1N.Cl.
What is the InChIKey of 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride?
The InChIKey is HMHCMHPOSBEUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4OS.ClH/c1-3(7)2-9-6(12)4-5(8)13-11-10-4;/h1-2,8H2,(H,9,12);1H.
What are the key properties of 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride?
5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride has a molecular weight of 255.13 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloroprop-2-enyl)thiadiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 131038150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).