N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide

C8H10ClF2N3OS — CID 107491301

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCCl)CC(F)F
InChIInChI=1S/C8H10ClF2N3OS/c1-5-7(16-13-12-5)8(15)14(3-2-9)4-6(10)11/h6H,2-4H2,1H3
InChIKeyNXDUJKLJDKYXAN-UHFFFAOYSA-N
MW269.70 g/mol
LogP1.79
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 107491301) has the molecular formula C8H10ClF2N3OS and a molecular weight of 269.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID107491301
Molecular FormulaC8H10ClF2N3OS
Molecular Weight269.70 g/mol
Exact Mass269.02
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCCl)CC(F)F
InChIInChI=1S/C8H10ClF2N3OS/c1-5-7(16-13-12-5)8(15)14(3-2-9)4-6(10)11/h6H,2-4H2,1H3
InChIKeyNXDUJKLJDKYXAN-UHFFFAOYSA-N
XLogP1.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 51.79
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-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide (CID 107491301) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is NXDUJKLJDKYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3OS/c1-5-7(16-13-12-5)8(15)14(3-2-9)4-6(10)11/h6H,2-4H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 269.70 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 107491301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).