[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate

C24H26N2O3S — CID 7969107

IUPAC[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
SMILESCCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C24H26N2O3S/c1-5-18-8-6-7-9-22(18)26(17(4)27)24-25-21(15-30-24)14-29-23(28)20-12-10-19(11-13-20)16(2)3/h6-13,15-16H,5,14H2,1-4H3
InChIKeyMSMNQFIOEAVZMO-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.87
Rot. Bonds7

About [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate (PubChem CID 7969107) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate.

Molecular Properties

Compound Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
PubChem CID7969107
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
SMILESCCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C24H26N2O3S/c1-5-18-8-6-7-9-22(18)26(17(4)27)24-25-21(15-30-24)14-29-23(28)20-12-10-19(11-13-20)16(2)3/h6-13,15-16H,5,14H2,1-4H3
InChIKeyMSMNQFIOEAVZMO-UHFFFAOYSA-N
XLogP5.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 3,4-diethoxybenzoate
CID 16527883
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl furan-2-carboxylate
CID 7813926
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523844
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
CID 8969978
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxy-5-methylbenzoate
CID 18089263
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510636
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636274
[2-(N-acetyl-4-ethylanilino)-1,3-thiazol-4-yl]methyl benzoate
CID 7868354
[2-(N-acetyl-2-methoxyanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7478091
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 4-(dimethylamino)benzoate
CID 8532550
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-chlorobenzoate
CID 7797118
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl pyridine-4-carboxylate
CID 7783579

Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate?
The IUPAC name of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate (CID 7969107) is [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate.
What is the SMILES notation for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate?
The canonical SMILES for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate is CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate?
The InChIKey is MSMNQFIOEAVZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-5-18-8-6-7-9-22(18)26(17(4)27)24-25-21(15-30-24)14-29-23(28)20-12-10-19(11-13-20)16(2)3/h6-13,15-16H,5,14H2,1-4H3.
What are the key properties of [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate?
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate has a molecular weight of 422.55 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate is sourced from PubChem (CID 7969107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).