10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide

C21H27N3S2 — CID 15925239

IUPAC10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
SMILESCCCNC(=S)c1ccc2c(c1)N(C(C)CN(C)C)c1ccccc1S2
InChIInChI=1S/C21H27N3S2/c1-5-12-22-21(25)16-10-11-20-18(13-16)24(15(2)14-23(3)4)17-8-6-7-9-19(17)26-20/h6-11,13,15H,5,12,14H2,1-4H3,(H,22,25)
InChIKeyGWFCDZWMUJHOKN-UHFFFAOYSA-N
MW385.60 g/mol
LogP4.91
Rot. Bonds6

About 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide

10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide (PubChem CID 15925239) has the molecular formula C21H27N3S2 and a molecular weight of 385.60 g/mol. Its IUPAC name is 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide.

Molecular Properties

Compound Name10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
PubChem CID15925239
Molecular FormulaC21H27N3S2
Molecular Weight385.60 g/mol
Exact Mass385.16
IUPAC Name10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
SMILESCCCNC(=S)c1ccc2c(c1)N(C(C)CN(C)C)c1ccccc1S2
InChIInChI=1S/C21H27N3S2/c1-5-12-22-21(25)16-10-11-20-18(13-16)24(15(2)14-23(3)4)17-8-6-7-9-19(17)26-20/h6-11,13,15H,5,12,14H2,1-4H3,(H,22,25)
InChIKeyGWFCDZWMUJHOKN-UHFFFAOYSA-N
XLogP4.91
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
CID 15925240
10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
CID 15925264
N-butyl-10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carbothioamide
CID 88511505
10-[(2R)-1-[ethyl(methyl)amino]propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carbothioamide;hydrochloride
CID 88511497
10-[1-(azepan-1-yl)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 14536542
10-[1-(2,5-dimethylpyrrolidin-1-yl)propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
CID 15925276
7-chloro-10-[(2R)-1-(diethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide
CID 88511571
N-(3,3-dimethylbutyl)-10-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]phenothiazine-2-carbothioamide
CID 88511529
10-[(2R)-1-(dimethylamino)propan-2-yl]-N-(furan-2-ylmethyl)phenothiazine-2-carboxamide
CID 67922725
N-(3,3-dimethylbutyl)-10-(1-pyrrolidin-1-ylpropan-2-yl)phenothiazine-2-carbothioamide;hydrochloride
CID 14536628
10-[1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-yl]-N-(3-methylbutyl)phenothiazine-2-carbothioamide;hydrochloride
CID 86744528
10-(1-hydroxypropan-2-yl)phenothiazine-2-carbothioamide
CID 15096230

Frequently Asked Questions

What is the IUPAC name of 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide?
The IUPAC name of 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide (CID 15925239) is 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide.
What is the SMILES notation for 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide?
The canonical SMILES for 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide is CCCNC(=S)c1ccc2c(c1)N(C(C)CN(C)C)c1ccccc1S2.
What is the InChIKey of 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide?
The InChIKey is GWFCDZWMUJHOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3S2/c1-5-12-22-21(25)16-10-11-20-18(13-16)24(15(2)14-23(3)4)17-8-6-7-9-19(17)26-20/h6-11,13,15H,5,12,14H2,1-4H3,(H,22,25).
What are the key properties of 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide?
10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide has a molecular weight of 385.60 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-(dimethylamino)propan-2-yl]-N-propylphenothiazine-2-carbothioamide is sourced from PubChem (CID 15925239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).