N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide

C16H18N4OS2 — CID 4113488

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21
InChIInChI=1S/C16H18N4OS2/c1-3-8-20-9-14(12-6-4-5-7-13(12)20)22-10-15(21)17-16-19-18-11(2)23-16/h4-7,9H,3,8,10H2,1-2H3,(H,17,19,21)
InChIKeyRGGHYKXSWCTKKY-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.94
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide (PubChem CID 4113488) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide
PubChem CID4113488
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21
InChIInChI=1S/C16H18N4OS2/c1-3-8-20-9-14(12-6-4-5-7-13(12)20)22-10-15(21)17-16-19-18-11(2)23-16/h4-7,9H,3,8,10H2,1-2H3,(H,17,19,21)
InChIKeyRGGHYKXSWCTKKY-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide (CID 4113488) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide is CCCn1cc(SCC(=O)Nc2nnc(C)s2)c2ccccc21.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The InChIKey is RGGHYKXSWCTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-3-8-20-9-14(12-6-4-5-7-13(12)20)22-10-15(21)17-16-19-18-11(2)23-16/h4-7,9H,3,8,10H2,1-2H3,(H,17,19,21).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide has a molecular weight of 346.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1-propylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 4113488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).