N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C11H13F3N2O2S — CID 97051833

IUPACN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC(F)(F)F)[C@H]1CCCOC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)6-16(8-2-1-3-18-4-8)10(17)9-5-19-7-15-9/h5,7-8H,1-4,6H2/t8-/m0/s1
InChIKeyRZMLYPXLTAHHID-QMMMGPOBSA-N
MW294.30 g/mol
LogP2.33
Rot. Bonds3

About N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 97051833) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID97051833
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CC(F)(F)F)[C@H]1CCCOC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)6-16(8-2-1-3-18-4-8)10(17)9-5-19-7-15-9/h5,7-8H,1-4,6H2/t8-/m0/s1
InChIKeyRZMLYPXLTAHHID-QMMMGPOBSA-N
XLogP2.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 103932997
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 94993786
[2-(Difluoromethyl)morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 121565148
Ethyl 4-(4-fluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121303323
Ethyl 4-(4,4-difluoropiperidine-1-carbonyl)thiazole-2-carboxylate
CID 121304037
(4,4-Difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 174899868
1-(1,3-Thiazole-4-carbonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55143815
1,3-Thiazol-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63038430
N-butyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047507
N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63047508
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 63048204

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 97051833) is N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(CC(F)(F)F)[C@H]1CCCOC1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RZMLYPXLTAHHID-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)6-16(8-2-1-3-18-4-8)10(17)9-5-19-7-15-9/h5,7-8H,1-4,6H2/t8-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97051833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).