(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate

C18H16N2O3S2 — CID 16625749

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate
SMILESCC(=O)Nc1c(C)cccc1C(=O)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C18H16N2O3S2/c1-11-4-3-5-15(16(11)19-12(2)21)18(22)23-8-14-10-25-17(20-14)13-6-7-24-9-13/h3-7,9-10H,8H2,1-2H3,(H,19,21)
InChIKeyJXFHZNWTBGUAFJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.50
Rot. Bonds5

About (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate (PubChem CID 16625749) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate
PubChem CID16625749
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate
SMILESCC(=O)Nc1c(C)cccc1C(=O)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C18H16N2O3S2/c1-11-4-3-5-15(16(11)19-12(2)21)18(22)23-8-14-10-25-17(20-14)13-6-7-24-9-13/h3-7,9-10H,8H2,1-2H3,(H,19,21)
InChIKeyJXFHZNWTBGUAFJ-UHFFFAOYSA-N
XLogP4.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methyl-2-nitrobenzoate
CID 8752384
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 27760643
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 8972341
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate
CID 18203452
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 8945238
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-acetamido-3-methylbenzoate
CID 24619139
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2,3-dioxo-1,4-dihydroquinoxaline-6-carboxylate
CID 8888083
N-(3-methyl-2-pyridinyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 35033079
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-chloro-5-nitrobenzoate
CID 8647607

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate (CID 16625749) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate is CC(=O)Nc1c(C)cccc1C(=O)OCc1csc(-c2ccsc2)n1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
The InChIKey is JXFHZNWTBGUAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-11-4-3-5-15(16(11)19-12(2)21)18(22)23-8-14-10-25-17(20-14)13-6-7-24-9-13/h3-7,9-10H,8H2,1-2H3,(H,19,21).
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate has a molecular weight of 372.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate is sourced from PubChem (CID 16625749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).