N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

C9H13F2N3O2S — CID 107483126

IUPACN-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H13F2N3O2S/c1-2-6-8(17-13-12-6)9(16)14(3-4-15)5-7(10)11/h7,15H,2-5H2,1H3
InChIKeyXVZNDMITCVZXFG-UHFFFAOYSA-N
MW265.28 g/mol
LogP0.80
Rot. Bonds6

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

N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (PubChem CID 107483126) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
PubChem CID107483126
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC NameN-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H13F2N3O2S/c1-2-6-8(17-13-12-6)9(16)14(3-4-15)5-7(10)11/h7,15H,2-5H2,1H3
InChIKeyXVZNDMITCVZXFG-UHFFFAOYSA-N
XLogP0.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53626744
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
(2,6-Dimethylmorpholin-4-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45796002
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
(4-Ethylthiadiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863284
(4-ethylthiadiazol-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929052
(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929053
2-[(4-Ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990498
2-[(4-Propan-2-ylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261719
2-[(4-Propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264820
2-[(4-Tert-butylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265063
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103187265

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (CID 107483126) is N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The InChIKey is XVZNDMITCVZXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-2-6-8(17-13-12-6)9(16)14(3-4-15)5-7(10)11/h7,15H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107483126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).