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'}

Analyze N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 107491295
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 107491824
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
CID 107492588
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide
CID 114383632
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide;hydrochloride
CID 120411673
N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 126996511
(3,3-Difluoroazetidin-1-yl)-(thiadiazol-4-yl)methanone
CID 130620130
N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 130620161
CID 139028892
CID 139028892
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
N-(2-chloroethyl)-N-cyclopropylthiadiazole-4-carboxamide
CID 65215758
(3-Chloropyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65215760

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).