N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C16H18N4O2S — CID 3237436

IUPACN-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1
InChIInChI=1S/C16H18N4O2S/c21-15(18-7-3-9-19-11-8-17-12-19)6-10-20-13-4-1-2-5-14(13)23-16(20)22/h1-2,4-5,8,11-12H,3,6-7,9-10H2,(H,18,21)
InChIKeyGLVGTQSJDIPCJL-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.86
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 3237436) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID3237436
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1
InChIInChI=1S/C16H18N4O2S/c21-15(18-7-3-9-19-11-8-17-12-19)6-10-20-13-4-1-2-5-14(13)23-16(20)22/h1-2,4-5,8,11-12H,3,6-7,9-10H2,(H,18,21)
InChIKeyGLVGTQSJDIPCJL-UHFFFAOYSA-N
XLogP1.86
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 3237436) is N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is O=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is GLVGTQSJDIPCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15(18-7-3-9-19-11-8-17-12-19)6-10-20-13-4-1-2-5-14(13)23-16(20)22/h1-2,4-5,8,11-12H,3,6-7,9-10H2,(H,18,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 330.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 3237436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).