methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate

C19H16N2O3S — CID 108727336

IUPACmethyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C19H16N2O3S/c1-12-20-17(11-25-12)13-7-9-14(10-8-13)21-18(22)15-5-3-4-6-16(15)19(23)24-2/h3-11H,1-2H3,(H,21,22)
InChIKeyZMTZSTUHIPJCOK-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.16
Rot. Bonds4

About methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate

methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate (PubChem CID 108727336) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
PubChem CID108727336
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Namemethyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C19H16N2O3S/c1-12-20-17(11-25-12)13-7-9-14(10-8-13)21-18(22)15-5-3-4-6-16(15)19(23)24-2/h3-11H,1-2H3,(H,21,22)
InChIKeyZMTZSTUHIPJCOK-UHFFFAOYSA-N
XLogP4.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 39448197
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 8534104
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8541293
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912
N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3650326

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate (CID 108727336) is methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate?
The InChIKey is ZMTZSTUHIPJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-12-20-17(11-25-12)13-7-9-14(10-8-13)21-18(22)15-5-3-4-6-16(15)19(23)24-2/h3-11H,1-2H3,(H,21,22).
What are the key properties of methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate?
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate has a molecular weight of 352.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 108727336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).