N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide

C18H17N3OS2 — CID 2425682

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NC1=NCCS1
InChIInChI=1S/C18H17N3OS2/c22-17(20-18-19-10-12-23-18)9-11-21-13-5-1-3-7-15(13)24-16-8-4-2-6-14(16)21/h1-8H,9-12H2,(H,19,20,22)
InChIKeyLCPPCUUTHPAOLY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.90
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide (PubChem CID 2425682) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide
PubChem CID2425682
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide
SMILESO=C(CCN1c2ccccc2Sc2ccccc21)NC1=NCCS1
InChIInChI=1S/C18H17N3OS2/c22-17(20-18-19-10-12-23-18)9-11-21-13-5-1-3-7-15(13)24-16-8-4-2-6-14(16)21/h1-8H,9-12H2,(H,19,20,22)
InChIKeyLCPPCUUTHPAOLY-UHFFFAOYSA-N
XLogP3.90
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-oxo-1,3-thiazol-2-yl)phenothiazine-10-carboxamide
CID 135449225
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2642676
3-(3-oxo-1,4-benzothiazin-4-yl)-N-(3-thiomorpholin-4-ylpropyl)propanamide
CID 134139290
3-Amino-1-phenothiazin-10-ylpropan-1-one
CID 608065
N-(4-oxo-1,3-thiazolidin-2-ylidene)phenothiazine-10-carboxamide
CID 135399084
Phenothiazine, 10-N,N-diethylalanyl-
CID 83045
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 135519923
2-[(4,6-dihydroxypyrimidin-2-yl)sulfanyl]-1-(10H-phenothiazin-10-yl)ethanone
CID 1129344
3-phenothiazin-10-yl-N-phenylpropanamide
CID 4116689
N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-10H-phenothiazine-10-carboxamide
CID 135456876
1-Propanone, 3-tert-butylamino-1-phenothiazin-10-yl-, hydrochloride
CID 3035347
3-Phenothiazin-10-yl-1-(2-phenylimino-1,3-thiazinan-3-yl)propan-1-one
CID 2485026

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide (CID 2425682) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide is O=C(CCN1c2ccccc2Sc2ccccc21)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide?
The InChIKey is LCPPCUUTHPAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c22-17(20-18-19-10-12-23-18)9-11-21-13-5-1-3-7-15(13)24-16-8-4-2-6-14(16)21/h1-8H,9-12H2,(H,19,20,22).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide has a molecular weight of 355.49 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-phenothiazin-10-ylpropanamide is sourced from PubChem (CID 2425682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).