5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide

C19H16ClN3O3S — CID 51067409

IUPAC5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(Cn2ccs/c2=N\C(=O)c2ccccc2Cl)o1
InChIInChI=1S/C19H16ClN3O3S/c20-15-4-2-1-3-14(15)17(24)22-19-23(9-10-27-19)11-13-7-8-16(26-13)18(25)21-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,21,25)/b22-19-
InChIKeyZFIUVEDYQLDBLM-QOCHGBHMSA-N
MW401.88 g/mol
LogP3.48
Rot. Bonds5

About 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide

5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 51067409) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID51067409
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(Cn2ccs/c2=N\C(=O)c2ccccc2Cl)o1
InChIInChI=1S/C19H16ClN3O3S/c20-15-4-2-1-3-14(15)17(24)22-19-23(9-10-27-19)11-13-7-8-16(26-13)18(25)21-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,21,25)/b22-19-
InChIKeyZFIUVEDYQLDBLM-QOCHGBHMSA-N
XLogP3.48
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide (CID 51067409) is 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide is O=C(NC1CC1)c1ccc(Cn2ccs/c2=N\C(=O)c2ccccc2Cl)o1.
What is the InChIKey of 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is ZFIUVEDYQLDBLM-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-15-4-2-1-3-14(15)17(24)22-19-23(9-10-27-19)11-13-7-8-16(26-13)18(25)21-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,21,25)/b22-19-.
What are the key properties of 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 401.88 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 51067409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).