5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide

C18H18N2O2S2 — CID 18314020

IUPAC5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide
SMILESCCCc1c(C(N)=O)sc(SC)c1-c1oncc1-c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-3-7-12-14(18(23-2)24-16(12)17(19)21)15-13(10-20-22-15)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H2,19,21)
InChIKeyVHTAAEUHBNUHSN-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.84
Rot. Bonds6

About 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide

5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide (PubChem CID 18314020) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide
PubChem CID18314020
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide
SMILESCCCc1c(C(N)=O)sc(SC)c1-c1oncc1-c1ccccc1
InChIInChI=1S/C18H18N2O2S2/c1-3-7-12-14(18(23-2)24-16(12)17(19)21)15-13(10-20-22-15)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H2,19,21)
InChIKeyVHTAAEUHBNUHSN-UHFFFAOYSA-N
XLogP4.84
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide?
The IUPAC name of 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide (CID 18314020) is 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide?
The canonical SMILES for 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide is CCCc1c(C(N)=O)sc(SC)c1-c1oncc1-c1ccccc1.
What is the InChIKey of 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide?
The InChIKey is VHTAAEUHBNUHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-3-7-12-14(18(23-2)24-16(12)17(19)21)15-13(10-20-22-15)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H2,19,21).
What are the key properties of 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide?
5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-4-(4-phenyl-1,2-oxazol-5-yl)-3-propylthiophene-2-carboxamide is sourced from PubChem (CID 18314020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).