5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide

C15H14N2O2S3 — CID 1226377

IUPAC5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)/N=C2\SCCN2C(=O)c2ccc(C)s2)s1
InChIInChI=1S/C15H14N2O2S3/c1-9-3-5-11(21-9)13(18)16-15-17(7-8-20-15)14(19)12-6-4-10(2)22-12/h3-6H,7-8H2,1-2H3/b16-15-
InChIKeyFVSIUUSARNIQLN-NXVVXOECSA-N
MW350.49 g/mol
LogP3.81
Rot. Bonds2

About 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide

5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide (PubChem CID 1226377) has the molecular formula C15H14N2O2S3 and a molecular weight of 350.49 g/mol. Its IUPAC name is 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide
PubChem CID1226377
Molecular FormulaC15H14N2O2S3
Molecular Weight350.49 g/mol
Exact Mass350.02
IUPAC Name5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)/N=C2\SCCN2C(=O)c2ccc(C)s2)s1
InChIInChI=1S/C15H14N2O2S3/c1-9-3-5-11(21-9)13(18)16-15-17(7-8-20-15)14(19)12-6-4-10(2)22-12/h3-6H,7-8H2,1-2H3/b16-15-
InChIKeyFVSIUUSARNIQLN-NXVVXOECSA-N
XLogP3.81
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide (CID 1226377) is 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide is Cc1ccc(C(=O)/N=C2\SCCN2C(=O)c2ccc(C)s2)s1.
What is the InChIKey of 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide?
The InChIKey is FVSIUUSARNIQLN-NXVVXOECSA-N. The full InChI is InChI=1S/C15H14N2O2S3/c1-9-3-5-11(21-9)13(18)16-15-17(7-8-20-15)14(19)12-6-4-10(2)22-12/h3-6H,7-8H2,1-2H3/b16-15-.
What are the key properties of 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide?
5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(5-methylthiophene-2-carbonyl)-1,3-thiazolidin-2-ylidene]thiophene-2-carboxamide is sourced from PubChem (CID 1226377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).