N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C20H17N3O2S — CID 18135694

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C20H17N3O2S/c1-12-6-5-9-16-18(12)22-20(26-16)21-17(24)10-11-23-13(2)14-7-3-4-8-15(14)19(23)25/h3-9H,2,10-11H2,1H3,(H,21,22,24)
InChIKeyHRAPOBNJXSDQMA-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.06
Rot. Bonds4

About N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 18135694) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID18135694
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C20H17N3O2S/c1-12-6-5-9-16-18(12)22-20(26-16)21-17(24)10-11-23-13(2)14-7-3-4-8-15(14)19(23)25/h3-9H,2,10-11H2,1H3,(H,21,22,24)
InChIKeyHRAPOBNJXSDQMA-UHFFFAOYSA-N
XLogP4.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
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N-(4-bromo-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
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CID 108794823
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 24644824
2-benzylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2218666
3-(1-methylidene-3-oxoisoindol-2-yl)-N-naphthalen-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 18135694) is N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nc2c(C)cccc2s1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is HRAPOBNJXSDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-6-5-9-16-18(12)22-20(26-16)21-17(24)10-11-23-13(2)14-7-3-4-8-15(14)19(23)25/h3-9H,2,10-11H2,1H3,(H,21,22,24).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 363.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 18135694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).