2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C18H15N3OS — CID 2114847

IUPAC2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)Cc3c[nH]c4ccccc34)nc12
InChIInChI=1S/C18H15N3OS/c1-11-5-4-8-15-17(11)21-18(23-15)20-16(22)9-12-10-19-14-7-3-2-6-13(12)14/h2-8,10,19H,9H2,1H3,(H,20,21,22)
InChIKeyRPNOVESNYZCHEF-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.27
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2114847) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID2114847
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)Cc3c[nH]c4ccccc34)nc12
InChIInChI=1S/C18H15N3OS/c1-11-5-4-8-15-17(11)21-18(23-15)20-16(22)9-12-10-19-14-7-3-2-6-13(12)14/h2-8,10,19H,9H2,1H3,(H,20,21,22)
InChIKeyRPNOVESNYZCHEF-UHFFFAOYSA-N
XLogP4.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18203902
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
CID 39023747
2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41145754
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24644824
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 108790507
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 2114847) is 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)Cc3c[nH]c4ccccc34)nc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is RPNOVESNYZCHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-11-5-4-8-15-17(11)21-18(23-15)20-16(22)9-12-10-19-14-7-3-2-6-13(12)14/h2-8,10,19H,9H2,1H3,(H,20,21,22).
What are the key properties of 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 321.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2114847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).