4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C11H14F3N3O2S — CID 90554795

IUPAC4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H14F3N3O2S/c1-7-9(20-16-15-7)10(18)17(6-11(12,13)14)8-2-4-19-5-3-8/h8H,2-6H2,1H3
InChIKeyQWQJPGXSTGKXNL-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 90554795) has the molecular formula C11H14F3N3O2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID90554795
Molecular FormulaC11H14F3N3O2S
Molecular Weight309.31 g/mol
Exact Mass309.08
IUPAC Name4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H14F3N3O2S/c1-7-9(20-16-15-7)10(18)17(6-11(12,13)14)8-2-4-19-5-3-8/h8H,2-6H2,1H3
InChIKeyQWQJPGXSTGKXNL-UHFFFAOYSA-N
XLogP2.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
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CID 71796137
N,4-dimethyl-N-[2-[(2R)-oxolan-2-yl]ethyl]thiadiazole-5-carboxamide
CID 164638799
[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
(4-Methyl-1,2,3-thiadiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092271
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
CID 107483148
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 113832866
(4-Methylthiadiazol-5-yl)-[2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126822619
[4-(Difluoromethyl)thiadiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 154025248
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 71786010
4-Methoxy-1'-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-1,4'-bipiperidine
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 90554795) is 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is QWQJPGXSTGKXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2S/c1-7-9(20-16-15-7)10(18)17(6-11(12,13)14)8-2-4-19-5-3-8/h8H,2-6H2,1H3.
What are the key properties of 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 309.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 90554795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).