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

C8H11F2N3O2S — CID 107483148

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H11F2N3O2S/c1-5-7(16-12-11-5)8(15)13(2-3-14)4-6(9)10/h6,14H,2-4H2,1H3
InChIKeyVJLGOBYXYSSAER-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.55
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 107483148) has the molecular formula C8H11F2N3O2S and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
PubChem CID107483148
Molecular FormulaC8H11F2N3O2S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C8H11F2N3O2S/c1-5-7(16-12-11-5)8(15)13(2-3-14)4-6(9)10/h6,14H,2-4H2,1H3
InChIKeyVJLGOBYXYSSAER-UHFFFAOYSA-N
XLogP0.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 164641692
[4-(Difluoromethyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
CID 142383509
(4-Methylthiadiazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 49718424
2-[(4-Methylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261804
4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 90554795
(4-Methyl-1,2,3-thiadiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092271
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 102979954
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
N-(3,3-difluoro-2-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103579476
N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 107483126
N-(2-hydroxyethyl)-4-propan-2-yl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107483353

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide (CID 107483148) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VJLGOBYXYSSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2S/c1-5-7(16-12-11-5)8(15)13(2-3-14)4-6(9)10/h6,14H,2-4H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 107483148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).