3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide

C16H15N3O2S — CID 2114353

IUPAC3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
SMILESCC(=O)NCCC(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C16H15N3O2S/c1-10(20)17-9-8-14(21)18-16-19-15-12-5-3-2-4-11(12)6-7-13(15)22-16/h2-7H,8-9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeySFVQVNMWXUDCAT-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.91
Rot. Bonds4

About 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide

3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide (PubChem CID 2114353) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
PubChem CID2114353
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
SMILESCC(=O)NCCC(=O)Nc1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C16H15N3O2S/c1-10(20)17-9-8-14(21)18-16-19-15-12-5-3-2-4-11(12)6-7-13(15)22-16/h2-7H,8-9H2,1H3,(H,17,20)(H,18,19,21)
InChIKeySFVQVNMWXUDCAT-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ska-31
CID 94880
N-Naphtho[1,2-d]thiazol-2-yl-acetamide
CID 808687
1-Ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]benzamide
CID 16310978
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)propanamide
CID 16808857
(2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaen-4-yl}propanamide
CID 23646359
(2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,9,11-pentaen-4-yl}propanamide
CID 23646360
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 346939
N-benzo[e][1,3]benzothiazol-2-yl-2-thiophen-2-ylacetamide
CID 2108377
2-(benzylsulfanyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2218666
2-(1,3-benzothiazol-2-ylamino)-N-(3-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrimidine-4-carboxamide
CID 2904890
N-(4,5-dimethylbenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
CID 4053409

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide (CID 2114353) is 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide is CC(=O)NCCC(=O)Nc1nc2c(ccc3ccccc32)s1.
What is the InChIKey of 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide?
The InChIKey is SFVQVNMWXUDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10(20)17-9-8-14(21)18-16-19-15-12-5-3-2-4-11(12)6-7-13(15)22-16/h2-7H,8-9H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide?
3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide has a molecular weight of 313.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide is sourced from PubChem (CID 2114353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).