(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

C21H20N2O4S — CID 2365365

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N2O4S/c1-2-26-18-10-8-15(9-11-18)20(25)22-12-19(24)27-13-17-14-28-21(23-17)16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,22,25)
InChIKeyMTVPWGGVLNUVNI-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.68
Rot. Bonds8

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 2365365) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID2365365
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H20N2O4S/c1-2-26-18-10-8-15(9-11-18)20(25)22-12-19(24)27-13-17-14-28-21(23-17)16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,22,25)
InChIKeyMTVPWGGVLNUVNI-UHFFFAOYSA-N
XLogP3.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16245966
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonyl-1,3-thiazol-2-yl]-2-methylprop-2-enoyl]-(3-hydroxypropyl)amino]acetic acid
CID 74983027
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate (CID 2365365) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is MTVPWGGVLNUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-26-18-10-8-15(9-11-18)20(25)22-12-19(24)27-13-17-14-28-21(23-17)16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H,22,25).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 396.47 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2365365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).