N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

C19H16N4OS — CID 778154

IUPACN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1
InChIInChI=1S/C19H16N4OS/c1-12-5-4-6-13(9-12)18(24)21-19-23-22-17(25-19)10-14-11-20-16-8-3-2-7-15(14)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)
InChIKeyIUUZUFVSKDVYHW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.17
Rot. Bonds4

About N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide

N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide (PubChem CID 778154) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
PubChem CID778154
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1
InChIInChI=1S/C19H16N4OS/c1-12-5-4-6-13(9-12)18(24)21-19-23-22-17(25-19)10-14-11-20-16-8-3-2-7-15(14)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)
InChIKeyIUUZUFVSKDVYHW-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide (CID 778154) is N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1.
What is the InChIKey of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
The InChIKey is IUUZUFVSKDVYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-5-4-6-13(9-12)18(24)21-19-23-22-17(25-19)10-14-11-20-16-8-3-2-7-15(14)16/h2-9,11,20H,10H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide?
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide has a molecular weight of 348.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 778154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).