2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide

C20H18N4OS2 — CID 78583999

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cc1csc(C)n1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H18N4OS2/c1-12(23-24-20(25)10-15-11-26-13(2)21-15)14-7-8-19-17(9-14)22-16-5-3-4-6-18(16)27-19/h3-9,11,22H,10H2,1-2H3,(H,24,25)
InChIKeyBTUNNTUVCGHQQN-UHFFFAOYSA-N
MW394.53 g/mol
LogP4.74
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide (PubChem CID 78583999) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
PubChem CID78583999
Molecular FormulaC20H18N4OS2
Molecular Weight394.53 g/mol
Exact Mass394.09
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)Cc1csc(C)n1)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C20H18N4OS2/c1-12(23-24-20(25)10-15-11-26-13(2)21-15)14-7-8-19-17(9-14)22-16-5-3-4-6-18(16)27-19/h3-9,11,22H,10H2,1-2H3,(H,24,25)
InChIKeyBTUNNTUVCGHQQN-UHFFFAOYSA-N
XLogP4.74
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.53
LogP ≤ 54.74
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

N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 9074069
2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 5107147
4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 4018140
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4101625
1-methyl-3-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]thiourea
CID 7955538
2-[2-methoxy-4-[(Z)-C-methyl-N-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]carbonimidoyl]phenoxy]acetate
CID 9463684
N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464064
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide (CID 78583999) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide is CC(=NNC(=O)Cc1csc(C)n1)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The InChIKey is BTUNNTUVCGHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-12(23-24-20(25)10-15-11-26-13(2)21-15)14-7-8-19-17(9-14)22-16-5-3-4-6-18(16)27-19/h3-9,11,22H,10H2,1-2H3,(H,24,25).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide has a molecular weight of 394.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 78583999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).