N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide

C23H17N3O2S — CID 23144242

IUPACN-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1c(-c2sc(NC(=O)c3ccccc3)nc2-c2ccco2)cc2ccccc21
InChIInChI=1S/C23H17N3O2S/c1-26-17-11-6-5-10-16(17)14-18(26)21-20(19-12-7-13-28-19)24-23(29-21)25-22(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25,27)
InChIKeyGCHQHEJJXLVSJN-UHFFFAOYSA-N
MW399.48 g/mol
LogP5.81
Rot. Bonds4

About N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide

N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 23144242) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID23144242
Molecular FormulaC23H17N3O2S
Molecular Weight399.48 g/mol
Exact Mass399.10
IUPAC NameN-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1c(-c2sc(NC(=O)c3ccccc3)nc2-c2ccco2)cc2ccccc21
InChIInChI=1S/C23H17N3O2S/c1-26-17-11-6-5-10-16(17)14-18(26)21-20(19-12-7-13-28-19)24-23(29-21)25-22(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25,27)
InChIKeyGCHQHEJJXLVSJN-UHFFFAOYSA-N
XLogP5.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.48
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 23144242) is N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide is Cn1c(-c2sc(NC(=O)c3ccccc3)nc2-c2ccco2)cc2ccccc21.
What is the InChIKey of N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GCHQHEJJXLVSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c1-26-17-11-6-5-10-16(17)14-18(26)21-20(19-12-7-13-28-19)24-23(29-21)25-22(27)15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25,27).
What are the key properties of N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide?
N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 399.48 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(1-methylindol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 23144242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).