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

C6H7F2N3OS — CID 131065665

IUPACN-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)F
InChIInChI=1S/C6H7F2N3OS/c1-3-5(13-11-10-3)6(12)9-2-4(7)8/h4H,2H2,1H3,(H,9,12)
InChIKeyNSMFLJUYZSVZPV-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.84
Rot. Bonds3

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

N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 131065665) has the molecular formula C6H7F2N3OS and a molecular weight of 207.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID131065665
Molecular FormulaC6H7F2N3OS
Molecular Weight207.20 g/mol
Exact Mass207.03
IUPAC NameN-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)F
InChIInChI=1S/C6H7F2N3OS/c1-3-5(13-11-10-3)6(12)9-2-4(7)8/h4H,2H2,1H3,(H,9,12)
InChIKeyNSMFLJUYZSVZPV-UHFFFAOYSA-N
XLogP0.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide (CID 131065665) is N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is NSMFLJUYZSVZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3OS/c1-3-5(13-11-10-3)6(12)9-2-4(7)8/h4H,2H2,1H3,(H,9,12).
What are the key properties of N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide?
N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 207.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 131065665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).