N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide

C23H33N3O2S — CID 4642732

IUPACN-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(-c2csc(N3CC(C)OC(C)C3)n2)c1
InChIInChI=1S/C23H33N3O2S/c1-5-7-9-18(6-2)22(27)24-20-11-8-10-19(12-20)21-15-29-23(25-21)26-13-16(3)28-17(4)14-26/h8,10-12,15-18H,5-7,9,13-14H2,1-4H3,(H,24,27)
InChIKeyNDHWGWKEVRETLQ-UHFFFAOYSA-N
MW415.60 g/mol
LogP5.58
Rot. Bonds8

About N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide

N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide (PubChem CID 4642732) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
PubChem CID4642732
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC NameN-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)Nc1cccc(-c2csc(N3CC(C)OC(C)C3)n2)c1
InChIInChI=1S/C23H33N3O2S/c1-5-7-9-18(6-2)22(27)24-20-11-8-10-19(12-20)21-15-29-23(25-21)26-13-16(3)28-17(4)14-26/h8,10-12,15-18H,5-7,9,13-14H2,1-4H3,(H,24,27)
InChIKeyNDHWGWKEVRETLQ-UHFFFAOYSA-N
XLogP5.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-ethyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7411488
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
CID 5244736
4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3688158
3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3526507
(2S)-2-ethyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide
CID 7361956
(2R)-2-ethyl-N-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7261173
(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7415959
(2R)-2-ethyl-N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]hexanamide
CID 92767812
(2S)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265294
(2R)-2-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 7265295
N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]nonanamide
CID 42663636
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide?
The IUPAC name of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide (CID 4642732) is N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide.
What is the SMILES notation for N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide?
The canonical SMILES for N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide is CCCCC(CC)C(=O)Nc1cccc(-c2csc(N3CC(C)OC(C)C3)n2)c1.
What is the InChIKey of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide?
The InChIKey is NDHWGWKEVRETLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-5-7-9-18(6-2)22(27)24-20-11-8-10-19(12-20)21-15-29-23(25-21)26-13-16(3)28-17(4)14-26/h8,10-12,15-18H,5-7,9,13-14H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide?
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide has a molecular weight of 415.60 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide is sourced from PubChem (CID 4642732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).