[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate

C19H18N2O3S2 — CID 7837753

IUPAC[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
SMILESCC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2ccc(C)s2)cs1
InChIInChI=1S/C19H18N2O3S2/c1-12-5-4-6-16(9-12)21(14(3)22)19-20-15(11-25-19)10-24-18(23)17-8-7-13(2)26-17/h4-9,11H,10H2,1-3H3
InChIKeyCQYBHHMYKHXKOG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.86
Rot. Bonds5

About [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate

[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate (PubChem CID 7837753) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
PubChem CID7837753
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
SMILESCC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2ccc(C)s2)cs1
InChIInChI=1S/C19H18N2O3S2/c1-12-5-4-6-16(9-12)21(14(3)22)19-20-15(11-25-19)10-24-18(23)17-8-7-13(2)26-17/h4-9,11H,10H2,1-3H3
InChIKeyCQYBHHMYKHXKOG-UHFFFAOYSA-N
XLogP4.86
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate (CID 7837753) is [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate is CC(=O)N(c1cccc(C)c1)c1nc(COC(=O)c2ccc(C)s2)cs1.
What is the InChIKey of [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate?
The InChIKey is CQYBHHMYKHXKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-5-4-6-16(9-12)21(14(3)22)19-20-15(11-25-19)10-24-18(23)17-8-7-13(2)26-17/h4-9,11H,10H2,1-3H3.
What are the key properties of [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate?
[2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate has a molecular weight of 386.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-acetyl-3-methylanilino)-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 7837753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).