N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide

C6H8ClN3OS — CID 65215332

IUPACN-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CCCl)C(=O)c1cnns1
InChIInChI=1S/C6H8ClN3OS/c1-10(3-2-7)6(11)5-4-8-9-12-5/h4H,2-3H2,1H3
InChIKeyIULDNUFWRVAJEL-UHFFFAOYSA-N
MW205.67 g/mol
LogP0.85
Rot. Bonds3

About N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide

N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 65215332) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide
PubChem CID65215332
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC NameN-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CCCl)C(=O)c1cnns1
InChIInChI=1S/C6H8ClN3OS/c1-10(3-2-7)6(11)5-4-8-9-12-5/h4H,2-3H2,1H3
InChIKeyIULDNUFWRVAJEL-UHFFFAOYSA-N
XLogP0.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide (CID 65215332) is N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide is CN(CCCl)C(=O)c1cnns1.
What is the InChIKey of N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is IULDNUFWRVAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-10(3-2-7)6(11)5-4-8-9-12-5/h4H,2-3H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide?
N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 205.67 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 65215332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).