N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide

C18H15N3OS2 — CID 3236931

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C18H15N3OS2/c1-21-10-16(12-6-2-4-8-14(12)21)23-11-17(22)20-18-19-13-7-3-5-9-15(13)24-18/h2-10H,11H2,1H3,(H,19,20,22)
InChIKeyKJAVGSDETZPQRK-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.52
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide (PubChem CID 3236931) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
PubChem CID3236931
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C18H15N3OS2/c1-21-10-16(12-6-2-4-8-14(12)21)23-11-17(22)20-18-19-13-7-3-5-9-15(13)24-18/h2-10H,11H2,1H3,(H,19,20,22)
InChIKeyKJAVGSDETZPQRK-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide (CID 3236931) is N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide is Cn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The InChIKey is KJAVGSDETZPQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-21-10-16(12-6-2-4-8-14(12)21)23-11-17(22)20-18-19-13-7-3-5-9-15(13)24-18/h2-10H,11H2,1H3,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide has a molecular weight of 353.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1-methylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 3236931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).