[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

C19H23N3O3S — CID 2642373

IUPAC[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cs1
InChIInChI=1S/C19H23N3O3S/c1-4-10-20-19-21-16(13-26-19)18(24)25-12-17(23)22(14(2)3)11-15-8-6-5-7-9-15/h4-9,13-14H,1,10-12H2,2-3H3,(H,20,21)
InChIKeySBXPKGZWXSAENI-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.34
Rot. Bonds9

About [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (PubChem CID 2642373) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
PubChem CID2642373
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cs1
InChIInChI=1S/C19H23N3O3S/c1-4-10-20-19-21-16(13-26-19)18(24)25-12-17(23)22(14(2)3)11-15-8-6-5-7-9-15/h4-9,13-14H,1,10-12H2,2-3H3,(H,20,21)
InChIKeySBXPKGZWXSAENI-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (CID 2642373) is [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is C=CCNc1nc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cs1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SBXPKGZWXSAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-4-10-20-19-21-16(13-26-19)18(24)25-12-17(23)22(14(2)3)11-15-8-6-5-7-9-15/h4-9,13-14H,1,10-12H2,2-3H3,(H,20,21).
What are the key properties of [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 373.48 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 2642373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).