3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C18H15N5OS — CID 129259431

IUPAC3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESC=Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1/N=C/C
InChIInChI=1S/C18H15N5OS/c1-3-20-15-10-12(7-8-13(15)19-2)17(24)23-18-22-16(11-25-18)14-6-4-5-9-21-14/h3-11H,2H2,1H3,(H,22,23,24)/b20-3+
InChIKeyCXLCOFKETLEUIE-BIMFAAKUSA-N
MW349.42 g/mol
LogP4.51
Rot. Bonds5

About 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 129259431) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID129259431
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESC=Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1/N=C/C
InChIInChI=1S/C18H15N5OS/c1-3-20-15-10-12(7-8-13(15)19-2)17(24)23-18-22-16(11-25-18)14-6-4-5-9-21-14/h3-11H,2H2,1H3,(H,22,23,24)/b20-3+
InChIKeyCXLCOFKETLEUIE-BIMFAAKUSA-N
XLogP4.51
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797962
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 87000563
3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 176676308
1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide
CID 167320182
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
(2R)-2-methyl-3-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 41163618
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703

Frequently Asked Questions

What is the IUPAC name of 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 129259431) is 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is C=Nc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1/N=C/C.
What is the InChIKey of 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CXLCOFKETLEUIE-BIMFAAKUSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-3-20-15-10-12(7-8-13(15)19-2)17(24)23-18-22-16(11-25-18)14-6-4-5-9-21-14/h3-11H,2H2,1H3,(H,22,23,24)/b20-3+.
What are the key properties of 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 349.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 129259431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).