10-ethylphenothiazine-2-carbothioamide

C15H14N2S2 — CID 174550563

IUPAC10-ethylphenothiazine-2-carbothioamide
SMILESCCN1c2ccccc2Sc2ccc(C(N)=S)cc21
InChIInChI=1S/C15H14N2S2/c1-2-17-11-5-3-4-6-13(11)19-14-8-7-10(15(16)18)9-12(14)17/h3-9H,2H2,1H3,(H2,16,18)
InChIKeyKKHSPILRGNQAQM-UHFFFAOYSA-N
MW286.43 g/mol
LogP3.94
Rot. Bonds2

About 10-ethylphenothiazine-2-carbothioamide

10-ethylphenothiazine-2-carbothioamide (PubChem CID 174550563) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 10-ethylphenothiazine-2-carbothioamide.

Molecular Properties

Compound Name10-ethylphenothiazine-2-carbothioamide
PubChem CID174550563
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name10-ethylphenothiazine-2-carbothioamide
SMILESCCN1c2ccccc2Sc2ccc(C(N)=S)cc21
InChIInChI=1S/C15H14N2S2/c1-2-17-11-5-3-4-6-13(11)19-14-8-7-10(15(16)18)9-12(14)17/h3-9H,2H2,1H3,(H2,16,18)
InChIKeyKKHSPILRGNQAQM-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(1-hydroxypropan-2-yl)phenothiazine-2-carbothioamide
CID 15096230
10-[1-(2,5-dihydropyrrol-1-yl)propan-2-yl]phenothiazine-2-carbothioamide
CID 54050440
1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]propan-1-one
CID 23276631
2-cyano-3-(10-ethylphenothiazin-3-yl)prop-2-enamide
CID 157467296
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
CID 86059612
10-(1-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide
CID 19020520
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
CID 25008399
7-chloro-10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carbothioamide
CID 88511496
7-chloro-10-[1-(diethylamino)propan-2-yl]phenothiazine-2-carbothioamide
CID 15925247
2-(3-ethyl-1,3-benzothiazol-2-ylidene)-N-phenylethanethioamide
CID 703550
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone
CID 71312308

Frequently Asked Questions

What is the IUPAC name of 10-ethylphenothiazine-2-carbothioamide?
The IUPAC name of 10-ethylphenothiazine-2-carbothioamide (CID 174550563) is 10-ethylphenothiazine-2-carbothioamide.
What is the SMILES notation for 10-ethylphenothiazine-2-carbothioamide?
The canonical SMILES for 10-ethylphenothiazine-2-carbothioamide is CCN1c2ccccc2Sc2ccc(C(N)=S)cc21.
What is the InChIKey of 10-ethylphenothiazine-2-carbothioamide?
The InChIKey is KKHSPILRGNQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-2-17-11-5-3-4-6-13(11)19-14-8-7-10(15(16)18)9-12(14)17/h3-9H,2H2,1H3,(H2,16,18).
What are the key properties of 10-ethylphenothiazine-2-carbothioamide?
10-ethylphenothiazine-2-carbothioamide has a molecular weight of 286.43 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethylphenothiazine-2-carbothioamide is sourced from PubChem (CID 174550563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).