[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

C19H18N2O3S2 — CID 33117147

IUPAC[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1ccccc1CNC(=O)COC(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C19H18N2O3S2/c1-12-5-3-4-6-14(12)9-20-16(22)10-24-19(23)17-13(2)21-18(26-17)15-7-8-25-11-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyVDQFUABFLWKRRI-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.96
Rot. Bonds6

About [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate

[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (PubChem CID 33117147) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
PubChem CID33117147
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
SMILESCc1ccccc1CNC(=O)COC(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C19H18N2O3S2/c1-12-5-3-4-6-14(12)9-20-16(22)10-24-19(23)17-13(2)21-18(26-17)15-7-8-25-11-15/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyVDQFUABFLWKRRI-UHFFFAOYSA-N
XLogP3.96
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427714
[1-(2-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660296
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660666
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427711
2-(4-methoxyphenyl)ethyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660295
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116359
[2-(carbamoylamino)-2-oxoethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 7721088
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130865
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 42885902
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 55427685
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824741
3-(1,3-dioxoisoindol-2-yl)propyl 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 33116781

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate (CID 33117147) is [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is Cc1ccccc1CNC(=O)COC(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
The InChIKey is VDQFUABFLWKRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-5-3-4-6-14(12)9-20-16(22)10-24-19(23)17-13(2)21-18(26-17)15-7-8-25-11-15/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate?
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 33117147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).