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

C26H31N3O2S — CID 3688158

IUPAC4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCC1CN(c2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cs2)CC(C)O1
InChIInChI=1S/C26H31N3O2S/c1-17-14-29(15-18(2)31-17)25-28-23(16-32-25)20-7-6-8-22(13-20)27-24(30)19-9-11-21(12-10-19)26(3,4)5/h6-13,16-18H,14-15H2,1-5H3,(H,27,30)
InChIKeyMDZFJGMDPHRNOV-UHFFFAOYSA-N
MW449.62 g/mol
LogP5.97
Rot. Bonds4

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

4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3688158) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3688158
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCC1CN(c2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cs2)CC(C)O1
InChIInChI=1S/C26H31N3O2S/c1-17-14-29(15-18(2)31-17)25-28-23(16-32-25)20-7-6-8-22(13-20)27-24(30)19-9-11-21(12-10-19)26(3,4)5/h6-13,16-18H,14-15H2,1-5H3,(H,27,30)
InChIKeyMDZFJGMDPHRNOV-UHFFFAOYSA-N
XLogP5.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3526507
N-[3-[2-(cyclopentylamino)-1,3-thiazol-4-yl]phenyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 142392046
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-ethylhexanamide
CID 4642732
N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]-2-phenylbutanamide
CID 5244736
4-phenyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 3443960
4-bromo-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 4215740
3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]benzamide
CID 142392077
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 42764148
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3688158) is 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide is CC1CN(c2nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cs2)CC(C)O1.
What is the InChIKey of 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is MDZFJGMDPHRNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-17-14-29(15-18(2)31-17)25-28-23(16-32-25)20-7-6-8-22(13-20)27-24(30)19-9-11-21(12-10-19)26(3,4)5/h6-13,16-18H,14-15H2,1-5H3,(H,27,30).
What are the key properties of 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide?
4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 449.62 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).