1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide

C19H16N4OS — CID 39033519

IUPAC1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1
InChIInChI=1S/C19H16N4OS/c1-13-21-22-19(25-13)20-18(24)16-7-8-17-15(11-16)9-10-23(17)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,24)
InChIKeySRCCMEIHRGNZMD-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.10
Rot. Bonds4

About 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide

1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide (PubChem CID 39033519) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide
PubChem CID39033519
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1
InChIInChI=1S/C19H16N4OS/c1-13-21-22-19(25-13)20-18(24)16-7-8-17-15(11-16)9-10-23(17)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,24)
InChIKeySRCCMEIHRGNZMD-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide?
The IUPAC name of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide (CID 39033519) is 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide is Cc1nnc(NC(=O)c2ccc3c(ccn3Cc3ccccc3)c2)s1.
What is the InChIKey of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide?
The InChIKey is SRCCMEIHRGNZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-21-22-19(25-13)20-18(24)16-7-8-17-15(11-16)9-10-23(17)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,22,24).
What are the key properties of 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide?
1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)indole-5-carboxamide is sourced from PubChem (CID 39033519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).