N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

C17H17N3OS2 — CID 23767240

IUPACN-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(C)n2N=Cc2sccc2C)c1
InChIInChI=1S/C17H17N3OS2/c1-12-7-8-22-16(12)10-18-20-13(2)11-23-17(20)19-14-5-4-6-15(9-14)21-3/h4-11H,1-3H3/b18-10?,19-17-
InChIKeySDQQTXHFKGJSJO-RXXLNGFJSA-N
MW343.48 g/mol
LogP4.35
Rot. Bonds4

About N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23767240) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23767240
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1cccc(/N=c2\scc(C)n2N=Cc2sccc2C)c1
InChIInChI=1S/C17H17N3OS2/c1-12-7-8-22-16(12)10-18-20-13(2)11-23-17(20)19-14-5-4-6-15(9-14)21-3/h4-11H,1-3H3/b18-10?,19-17-
InChIKeySDQQTXHFKGJSJO-RXXLNGFJSA-N
XLogP4.35
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23767240) is N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is COc1cccc(/N=c2\scc(C)n2N=Cc2sccc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is SDQQTXHFKGJSJO-RXXLNGFJSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-7-8-22-16(12)10-18-20-13(2)11-23-17(20)19-14-5-4-6-15(9-14)21-3/h4-11H,1-3H3/b18-10?,19-17-.
What are the key properties of N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 343.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).