2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C23H25N3O3S — CID 108726929

IUPAC2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)c1
InChIInChI=1S/C23H25N3O3S/c1-17-6-5-9-19(14-17)29-16-21(27)24-23-25-22(18-7-3-2-4-8-18)20(30-23)15-26-10-12-28-13-11-26/h2-9,14H,10-13,15-16H2,1H3,(H,24,25,27)
InChIKeySQSMUGQHPLRXGB-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.97
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 108726929) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID108726929
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)c1
InChIInChI=1S/C23H25N3O3S/c1-17-6-5-9-19(14-17)29-16-21(27)24-23-25-22(18-7-3-2-4-8-18)20(30-23)15-26-10-12-28-13-11-26/h2-9,14H,10-13,15-16H2,1H3,(H,24,25,27)
InChIKeySQSMUGQHPLRXGB-UHFFFAOYSA-N
XLogP3.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 108750995
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108750977
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
[3-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108750906
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 108750942
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
2-(3-methylphenoxy)-N-(4-morpholin-4-ylbut-2-ynyl)acetamide
CID 71792695

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 108726929) is 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SQSMUGQHPLRXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-17-6-5-9-19(14-17)29-16-21(27)24-23-25-22(18-7-3-2-4-8-18)20(30-23)15-26-10-12-28-13-11-26/h2-9,14H,10-13,15-16H2,1H3,(H,24,25,27).
What are the key properties of 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108726929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).