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

C7H7ClF3N3OS — CID 107492206

IUPACN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C7H7ClF3N3OS/c8-1-2-14(4-7(9,10)11)6(15)5-3-16-13-12-5/h3H,1-2,4H2
InChIKeyMEZKVUVRLMYPQE-UHFFFAOYSA-N
MW273.67 g/mol
LogP1.78
Rot. Bonds4

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

N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide (PubChem CID 107492206) has the molecular formula C7H7ClF3N3OS and a molecular weight of 273.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
PubChem CID107492206
Molecular FormulaC7H7ClF3N3OS
Molecular Weight273.67 g/mol
Exact Mass273.00
IUPAC NameN-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(c1csnn1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C7H7ClF3N3OS/c8-1-2-14(4-7(9,10)11)6(15)5-3-16-13-12-5/h3H,1-2,4H2
InChIKeyMEZKVUVRLMYPQE-UHFFFAOYSA-N
XLogP1.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.67
LogP ≤ 51.78
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-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide (CID 107492206) is N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide is O=C(c1csnn1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
The InChIKey is MEZKVUVRLMYPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3OS/c8-1-2-14(4-7(9,10)11)6(15)5-3-16-13-12-5/h3H,1-2,4H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide?
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide has a molecular weight of 273.67 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 107492206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).