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

C20H18N2O3S — CID 4992069

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)19(24)21-11-18(23)25-12-17-13-26-20(22-17)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyLGHIMCHJGJWTOK-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.59
Rot. Bonds6

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

(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate (PubChem CID 4992069) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
PubChem CID4992069
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)19(24)21-11-18(23)25-12-17-13-26-20(22-17)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeyLGHIMCHJGJWTOK-UHFFFAOYSA-N
XLogP3.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate (CID 4992069) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate is Cc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate?
The InChIKey is LGHIMCHJGJWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-14-7-9-15(10-8-14)19(24)21-11-18(23)25-12-17-13-26-20(22-17)16-5-3-2-4-6-16/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-methylbenzoyl)amino]acetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate has a molecular weight of 366.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methylbenzoyl)amino]acetate is sourced from PubChem (CID 4992069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).