N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide

C7H8ClF2N3OS — CID 107491295

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCCl)CC(F)F
InChIInChI=1S/C7H8ClF2N3OS/c8-1-2-13(3-6(9)10)7(14)5-4-15-12-11-5/h4,6H,1-3H2
InChIKeyPNRSLFYDDDBINQ-UHFFFAOYSA-N
MW255.68 g/mol
LogP1.48
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide

N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide (PubChem CID 107491295) has the molecular formula C7H8ClF2N3OS and a molecular weight of 255.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
PubChem CID107491295
Molecular FormulaC7H8ClF2N3OS
Molecular Weight255.68 g/mol
Exact Mass255.00
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCCl)CC(F)F
InChIInChI=1S/C7H8ClF2N3OS/c8-1-2-13(3-6(9)10)7(14)5-4-15-12-11-5/h4,6H,1-3H2
InChIKeyPNRSLFYDDDBINQ-UHFFFAOYSA-N
XLogP1.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 51.48
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)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide (CID 107491295) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide is O=C(c1csnn1)N(CCCl)CC(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The InChIKey is PNRSLFYDDDBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3OS/c8-1-2-13(3-6(9)10)7(14)5-4-15-12-11-5/h4,6H,1-3H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide has a molecular weight of 255.68 g/mol, XLogP of 1.48, 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)thiadiazole-4-carboxamide is sourced from PubChem (CID 107491295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).