N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine

C17H14N4S2 — CID 134814002

IUPACN-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCC(=NNc1nccs1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C17H14N4S2/c1-11(20-21-17-18-8-9-22-17)12-6-7-16-14(10-12)19-13-4-2-3-5-15(13)23-16/h2-10,19H,1H3,(H,18,21)
InChIKeyRDOCYSBZQOFTEN-UHFFFAOYSA-N
MW338.46 g/mol
LogP5.19
Rot. Bonds3

About N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine

N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 134814002) has the molecular formula C17H14N4S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID134814002
Molecular FormulaC17H14N4S2
Molecular Weight338.46 g/mol
Exact Mass338.07
IUPAC NameN-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESCC(=NNc1nccs1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C17H14N4S2/c1-11(20-21-17-18-8-9-22-17)12-6-7-16-14(10-12)19-13-4-2-3-5-15(13)23-16/h2-10,19H,1H3,(H,18,21)
InChIKeyRDOCYSBZQOFTEN-UHFFFAOYSA-N
XLogP5.19
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.46
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 3606847
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
CID 6418691
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779
3-nitro-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 4638584
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 5107147
2,6-dinitro-N-[(E)-1-(10H-phenothiazin-2-yl)ethylideneamino]-3-(trifluoromethyl)aniline
CID 25013971
oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 24846810
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
ethane;10H-phenothiazine
CID 90730014
2-methyl-10H-phenothiazine
CID 611628

Frequently Asked Questions

What is the IUPAC name of N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 134814002) is N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine is CC(=NNc1nccs1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is RDOCYSBZQOFTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S2/c1-11(20-21-17-18-8-9-22-17)12-6-7-16-14(10-12)19-13-4-2-3-5-15(13)23-16/h2-10,19H,1H3,(H,18,21).
What are the key properties of N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 338.46 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 134814002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).