[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate

C19H16N2O4S — CID 7797536

IUPAC[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2O)cs1
InChIInChI=1S/C19H16N2O4S/c1-13(22)21(15-7-3-2-4-8-15)19-20-14(12-26-19)11-25-18(24)16-9-5-6-10-17(16)23/h2-10,12,23H,11H2,1H3
InChIKeyJISIKOWHXBXWEZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.89
Rot. Bonds5

About [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate (PubChem CID 7797536) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
PubChem CID7797536
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
SMILESCC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2O)cs1
InChIInChI=1S/C19H16N2O4S/c1-13(22)21(15-7-3-2-4-8-15)19-20-14(12-26-19)11-25-18(24)16-9-5-6-10-17(16)23/h2-10,12,23H,11H2,1H3
InChIKeyJISIKOWHXBXWEZ-UHFFFAOYSA-N
XLogP3.89
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-O-[[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505745
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-fluorobenzoate
CID 8624757
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8532550
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 5-chloro-2-methoxybenzoate
CID 7581809
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylphenyl)methoxy]benzoate
CID 16514853
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-cyanobenzoate
CID 8018161
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 2-fluorobenzoate
CID 7508511
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 16611211
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl (2R)-2-phenoxypropanoate
CID 8790409
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092682

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate?
The IUPAC name of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate (CID 7797536) is [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate.
What is the SMILES notation for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate?
The canonical SMILES for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate is CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccccc2O)cs1.
What is the InChIKey of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate?
The InChIKey is JISIKOWHXBXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-13(22)21(15-7-3-2-4-8-15)19-20-14(12-26-19)11-25-18(24)16-9-5-6-10-17(16)23/h2-10,12,23H,11H2,1H3.
What are the key properties of [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate?
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate has a molecular weight of 368.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate is sourced from PubChem (CID 7797536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).