10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride

C24H34ClN3S2 — CID 15925264

IUPAC10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
SMILESCCCNC(=S)c1ccc2c(c1)N(C(C)CN(CC)C(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C24H33N3S2.ClH/c1-6-14-25-24(28)19-12-13-23-21(15-19)27(18(5)16-26(7-2)17(3)4)20-10-8-9-11-22(20)29-23;/h8-13,15,17-18H,6-7,14,16H2,1-5H3,(H,25,28);1H
InChIKeyUIKYPNOKWNQQLV-UHFFFAOYSA-N
MW464.14 g/mol
LogP6.51
Rot. Bonds8

About 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride

10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride (PubChem CID 15925264) has the molecular formula C24H34ClN3S2 and a molecular weight of 464.14 g/mol. Its IUPAC name is 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride.

Molecular Properties

Compound Name10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
PubChem CID15925264
Molecular FormulaC24H34ClN3S2
Molecular Weight464.14 g/mol
Exact Mass463.19
IUPAC Name10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride
SMILESCCCNC(=S)c1ccc2c(c1)N(C(C)CN(CC)C(C)C)c1ccccc1S2.Cl
InChIInChI=1S/C24H33N3S2.ClH/c1-6-14-25-24(28)19-12-13-23-21(15-19)27(18(5)16-26(7-2)17(3)4)20-10-8-9-11-22(20)29-23;/h8-13,15,17-18H,6-7,14,16H2,1-5H3,(H,25,28);1H
InChIKeyUIKYPNOKWNQQLV-UHFFFAOYSA-N
XLogP6.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.14
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride?
The IUPAC name of 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride (CID 15925264) is 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride.
What is the SMILES notation for 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride?
The canonical SMILES for 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride is CCCNC(=S)c1ccc2c(c1)N(C(C)CN(CC)C(C)C)c1ccccc1S2.Cl.
What is the InChIKey of 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride?
The InChIKey is UIKYPNOKWNQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3S2.ClH/c1-6-14-25-24(28)19-12-13-23-21(15-19)27(18(5)16-26(7-2)17(3)4)20-10-8-9-11-22(20)29-23;/h8-13,15,17-18H,6-7,14,16H2,1-5H3,(H,25,28);1H.
What are the key properties of 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride?
10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride has a molecular weight of 464.14 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1-[ethyl(propan-2-yl)amino]propan-2-yl]-N-propylphenothiazine-2-carbothioamide;hydrochloride is sourced from PubChem (CID 15925264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).