N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide

C18H15N3OS — CID 2654668

IUPACN-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1
InChIInChI=1S/C18H15N3OS/c22-17(21-18-20-15-7-3-4-8-16(15)23-18)10-9-12-11-19-14-6-2-1-5-13(12)14/h1-8,11,19H,9-10H2,(H,20,21,22)
InChIKeyJMUAUYYVUJHCKE-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.35
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide

N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 2654668) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID2654668
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1
InChIInChI=1S/C18H15N3OS/c22-17(21-18-20-15-7-3-4-8-16(15)23-18)10-9-12-11-19-14-6-2-1-5-13(12)14/h1-8,11,19H,9-10H2,(H,20,21,22)
InChIKeyJMUAUYYVUJHCKE-UHFFFAOYSA-N
XLogP4.35
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide (CID 2654668) is N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is JMUAUYYVUJHCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-17(21-18-20-15-7-3-4-8-16(15)23-18)10-9-12-11-19-14-6-2-1-5-13(12)14/h1-8,11,19H,9-10H2,(H,20,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 321.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2654668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).