2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C23H31N3O2S — CID 146099290

IUPAC2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)Cc2sc(C3CCC3)nc2C)cc1
InChIInChI=1S/C23H31N3O2S/c1-16-6-8-18(9-7-16)20(15-26-10-12-28-13-11-26)25-22(27)14-21-17(2)24-23(29-21)19-4-3-5-19/h6-9,19-20H,3-5,10-15H2,1-2H3,(H,25,27)
InChIKeyZICQSLOHWCSTKF-UHFFFAOYSA-N
MW413.59 g/mol
LogP3.76
Rot. Bonds7

About 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 146099290) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID146099290
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)Cc2sc(C3CCC3)nc2C)cc1
InChIInChI=1S/C23H31N3O2S/c1-16-6-8-18(9-7-16)20(15-26-10-12-28-13-11-26)25-22(27)14-21-17(2)24-23(29-21)19-4-3-5-19/h6-9,19-20H,3-5,10-15H2,1-2H3,(H,25,27)
InChIKeyZICQSLOHWCSTKF-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144751
2-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 167790337
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144929
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 94024670
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 146099290) is 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc(C(CN2CCOCC2)NC(=O)Cc2sc(C3CCC3)nc2C)cc1.
What is the InChIKey of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is ZICQSLOHWCSTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-16-6-8-18(9-7-16)20(15-26-10-12-28-13-11-26)25-22(27)14-21-17(2)24-23(29-21)19-4-3-5-19/h6-9,19-20H,3-5,10-15H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 413.59 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 146099290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).