N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

C13H11ClN4O2S — CID 80617967

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3nnc(Cl)s3)ccc21
InChIInChI=1S/C13H11ClN4O2S/c1-7(19)18-5-4-8-6-9(2-3-10(8)18)15-11(20)12-16-17-13(14)21-12/h2-3,6H,4-5H2,1H3,(H,15,20)
InChIKeyGFXFWVPEFBSZPP-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.35
Rot. Bonds2

About N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617967) has the molecular formula C13H11ClN4O2S and a molecular weight of 322.78 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617967
Molecular FormulaC13H11ClN4O2S
Molecular Weight322.78 g/mol
Exact Mass322.03
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3nnc(Cl)s3)ccc21
InChIInChI=1S/C13H11ClN4O2S/c1-7(19)18-5-4-8-6-9(2-3-10(8)18)15-11(20)12-16-17-13(14)21-12/h2-3,6H,4-5H2,1H3,(H,15,20)
InChIKeyGFXFWVPEFBSZPP-UHFFFAOYSA-N
XLogP2.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80617967) is N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is CC(=O)N1CCc2cc(NC(=O)c3nnc(Cl)s3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is GFXFWVPEFBSZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2S/c1-7(19)18-5-4-8-6-9(2-3-10(8)18)15-11(20)12-16-17-13(14)21-12/h2-3,6H,4-5H2,1H3,(H,15,20).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 322.78 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).