N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

C15H12N4O2S2 — CID 2388543

IUPACN-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1cccs1
InChIInChI=1S/C15H12N4O2S2/c1-16-15-18(17-9-13-3-2-8-22-13)14(10-23-15)11-4-6-12(7-5-11)19(20)21/h2-10H,1H3/b16-15-,17-9?
InChIKeyGDZVVVHPRWJFED-JWTJGMJASA-N
MW344.42 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine

N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (PubChem CID 2388543) has the molecular formula C15H12N4O2S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
PubChem CID2388543
Molecular FormulaC15H12N4O2S2
Molecular Weight344.42 g/mol
Exact Mass344.04
IUPAC NameN-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1cccs1
InChIInChI=1S/C15H12N4O2S2/c1-16-15-18(17-9-13-3-2-8-22-13)14(10-23-15)11-4-6-12(7-5-11)19(20)21/h2-10H,1H3/b16-15-,17-9?
InChIKeyGDZVVVHPRWJFED-JWTJGMJASA-N
XLogP3.60
TPSA72.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675446
(E)-4-(4-nitrophenyl)-N-[(E)-[(E)-3-(5-nitrothiophen-2-yl)prop-2-enylidene]amino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675455
(E)-4-(5-bromothiophen-2-yl)-3-[(E)-(2-nitrophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904245
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675445
(E)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3,4-diphenyl-1,3-thiazol-2-imine
CID 90675447
(E)-4-(4-nitrophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine;hydrobromide
CID 90675462
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
3-fluoro-4-methyl-N-[(5-nitro-2-thienyl)methylene]aniline
CID 794887
(E)-N-(4-Methylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
CID 13481553
5-Methyl-3-(4-nitrophenyl)-2-[(thiophen-2-ylmethylene)hydrazono]-2,3-dihydro-1,3,4-thiadiazole
CID 164608589
N-(4-fluorophenyl)-4-(4-nitrophenyl)-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23906285
(E)-4-(4-nitrophenyl)-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675463

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine (CID 2388543) is N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1cccs1.
What is the InChIKey of N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is GDZVVVHPRWJFED-JWTJGMJASA-N. The full InChI is InChI=1S/C15H12N4O2S2/c1-16-15-18(17-9-13-3-2-8-22-13)14(10-23-15)11-4-6-12(7-5-11)19(20)21/h2-10H,1H3/b16-15-,17-9?.
What are the key properties of N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine?
N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 344.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-nitrophenyl)-3-(thiophen-2-ylmethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 2388543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).