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

C27H33N3O4S — CID 108750977

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)c(C(C)(C)C)c1
InChIInChI=1S/C27H33N3O4S/c1-27(2,3)21-16-20(32-4)10-11-22(21)34-18-24(31)28-26-29-25(19-8-6-5-7-9-19)23(35-26)17-30-12-14-33-15-13-30/h5-11,16H,12-15,17-18H2,1-4H3,(H,28,29,31)
InChIKeyIMBWKXRUVUTAPH-UHFFFAOYSA-N
MW495.65 g/mol
LogP4.97
Rot. Bonds8

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

2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 108750977) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID108750977
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)c(C(C)(C)C)c1
InChIInChI=1S/C27H33N3O4S/c1-27(2,3)21-16-20(32-4)10-11-22(21)34-18-24(31)28-26-29-25(19-8-6-5-7-9-19)23(35-26)17-30-12-14-33-15-13-30/h5-11,16H,12-15,17-18H2,1-4H3,(H,28,29,31)
InChIKeyIMBWKXRUVUTAPH-UHFFFAOYSA-N
XLogP4.97
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
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]-4-phenoxybutanamide
CID 108750995
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 108780400
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
[3-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108750906
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 108750942
2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-(2-phenylphenoxy)acetamide
CID 17472342

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 108750977) is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is COc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(CN3CCOCC3)s2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is IMBWKXRUVUTAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-27(2,3)21-16-20(32-4)10-11-22(21)34-18-24(31)28-26-29-25(19-8-6-5-7-9-19)23(35-26)17-30-12-14-33-15-13-30/h5-11,16H,12-15,17-18H2,1-4H3,(H,28,29,31).
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 495.65 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108750977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).