N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C14H19F3N2O2S — CID 75386298

IUPACN-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC(F)(F)F)C2CCCOC2)s1
InChIInChI=1S/C14H19F3N2O2S/c1-9(2)12-18-6-11(22-12)13(20)19(8-14(15,16)17)10-4-3-5-21-7-10/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyOCOLOSWZIKARSD-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.45
Rot. Bonds4

About N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 75386298) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID75386298
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ncc(C(=O)N(CC(F)(F)F)C2CCCOC2)s1
InChIInChI=1S/C14H19F3N2O2S/c1-9(2)12-18-6-11(22-12)13(20)19(8-14(15,16)17)10-4-3-5-21-7-10/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyOCOLOSWZIKARSD-UHFFFAOYSA-N
XLogP3.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
(2-ethyl-1,3-thiazol-5-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 137988217
Ethyl 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 126739546
N-(cyclopropylmethyl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 71912498
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633
N-[(3R)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237830
N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237831
N-tert-butyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 100753849
(2-Ethyl-1,3-thiazol-5-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329378
(2-Propyl-1,3-thiazol-5-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329393
2-(1-ethoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 120810583
(3,3-Difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 138027178

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 75386298) is N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is CC(C)c1ncc(C(=O)N(CC(F)(F)F)C2CCCOC2)s1.
What is the InChIKey of N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OCOLOSWZIKARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c1-9(2)12-18-6-11(22-12)13(20)19(8-14(15,16)17)10-4-3-5-21-7-10/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75386298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).