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

C20H18N2O4S — CID 2126875

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2O4S/c1-25-17-9-7-14(8-10-17)19(24)21-11-18(23)26-12-16-13-27-20(22-16)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyJQPAYCCVQBNIBA-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.29
Rot. Bonds7

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 2126875) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID2126875
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2O4S/c1-25-17-9-7-14(8-10-17)19(24)21-11-18(23)26-12-16-13-27-20(22-16)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyJQPAYCCVQBNIBA-UHFFFAOYSA-N
XLogP3.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
[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
4-{(Z)-2-Cyano-2-[4-(4-methoxy-phenyl)-thiazol-2-yl]-vinylamino}-benzoic acid 2-diethylamino-ethyl ester
CID 1833641
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2121321
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
CID 4992069
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate (CID 2126875) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is JQPAYCCVQBNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-25-17-9-7-14(8-10-17)19(24)21-11-18(23)26-12-16-13-27-20(22-16)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,24).
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 382.44 g/mol, XLogP of 3.29, 7 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-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 2126875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).