N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C12H16F3N3O2S — CID 121526910

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESC1COCC(N1CC(F)(F)F)C(=O)NCCC2=NC=CS2
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)8-18-4-5-20-7-9(18)11(19)17-2-1-10-16-3-6-21-10/h3,6,9H,1-2,4-5,7-8H2,(H,17,19)
InChIKeyWOMXGEMTNZYQMR-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 121526910) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID121526910
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESC1COCC(N1CC(F)(F)F)C(=O)NCCC2=NC=CS2
InChIInChI=1S/C12H16F3N3O2S/c13-12(14,15)8-18-4-5-20-7-9(18)11(19)17-2-1-10-16-3-6-21-10/h3,6,9H,1-2,4-5,7-8H2,(H,17,19)
InChIKeyWOMXGEMTNZYQMR-UHFFFAOYSA-N
XLogP1.40
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity357

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-morpholin-4-yl-3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propan-1-one
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4-morpholin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butanamide
CID 100057946
2-[(2R,6S)-2,6-Dimethylmorpholin-4-YL]-N-[3-(1,3-thiazol-2-YL)propyl]acetamide
CID 118763842
[3-Oxo-3-(1,3-thiazol-2-ylmethylamino)-2-[(2,2,2-trifluoroacetyl)amino]propyl] acetate
CID 22916692
2-[(N-trifluoroacetyl-D-seryl)amino]methylthiazole
CID 54162880
2-[(N-trifluoroacetyl-L-seryl)amino]methylthiazole
CID 54162881
2-[(O-acetyl-N-trifluoroacetyl-D-seryl)amino]methylthiazole
CID 54363709
2-[(O-acetyl-N-trifluoroacetyl-L-seryl)amino]methylthiazole
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2-methyl-N-[(3R)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butan-2-yl]propanamide
CID 170758129
1-[2-(1,3-Thiazol-2-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 72134044
1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95770149
1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95770150

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 121526910) is N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is C1COCC(N1CC(F)(F)F)C(=O)NCCC2=NC=CS2.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is WOMXGEMTNZYQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c13-12(14,15)8-18-4-5-20-7-9(18)11(19)17-2-1-10-16-3-6-21-10/h3,6,9H,1-2,4-5,7-8H2,(H,17,19).
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 121526910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).