N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide

C21H22N4OS — CID 35513225

IUPACN-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NCCCn1ccnc1
InChIInChI=1S/C21H22N4OS/c26-21(23-11-5-13-24-15-12-22-16-24)10-14-25-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)25/h1-4,6-9,12,15-16H,5,10-11,13-14H2,(H,23,26)
InChIKeyZXTZLCCLXJFUCG-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.08
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide

N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide (PubChem CID 35513225) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
PubChem CID35513225
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NCCCn1ccnc1
InChIInChI=1S/C21H22N4OS/c26-21(23-11-5-13-24-15-12-22-16-24)10-14-25-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)25/h1-4,6-9,12,15-16H,5,10-11,13-14H2,(H,23,26)
InChIKeyZXTZLCCLXJFUCG-UHFFFAOYSA-N
XLogP4.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 4971498
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391157
3-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 6225575
N-(3-imidazol-1-ylpropyl)-3-[5-[(1-methylpyrrol-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamide
CID 4898242
N-(3-imidazol-1-ylpropyl)-3-[5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanamide
CID 4892634
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
4-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-(3-imidazol-1-ylpropyl)butanamide
CID 4973005
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
4-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-imidazol-1-ylpropyl)butanamide
CID 6225587
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide (CID 35513225) is N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide is O=C(CCN1c2ccccc2Sc2ccccc21)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide?
The InChIKey is ZXTZLCCLXJFUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(23-11-5-13-24-15-12-22-16-24)10-14-25-17-6-1-3-8-19(17)27-20-9-4-2-7-18(20)25/h1-4,6-9,12,15-16H,5,10-11,13-14H2,(H,23,26).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide?
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide has a molecular weight of 378.50 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 35513225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).