N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

C17H17N3OS2 — CID 23734742

IUPACN-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(C)n1N=Cc1ccc(C)s1
InChIInChI=1S/C17H17N3OS2/c1-12-11-22-17(19-15-6-4-5-7-16(15)21-3)20(12)18-10-14-9-8-13(2)23-14/h4-11H,1-3H3/b18-10?,19-17-
InChIKeyAPAVWYZTWCYYOA-RXXLNGFJSA-N
MW343.48 g/mol
LogP4.35
Rot. Bonds4

About N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23734742) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23734742
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESCOc1ccccc1/N=c1\scc(C)n1N=Cc1ccc(C)s1
InChIInChI=1S/C17H17N3OS2/c1-12-11-22-17(19-15-6-4-5-7-16(15)21-3)20(12)18-10-14-9-8-13(2)23-14/h4-11H,1-3H3/b18-10?,19-17-
InChIKeyAPAVWYZTWCYYOA-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'}

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Related Compounds

N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23857374
N-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23732679
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
4-[(E)-[4-(4-bromophenyl)-2-(2-methoxyphenyl)imino-1,3-thiazol-3-yl]iminomethyl]-N,N-diethylaniline
CID 6902876
N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23767240
3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3519073
N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23792028
4-methyl-N-propan-2-yl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23989298
2-(2-methoxyanilino)-N-[(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 968305
3-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)-1,3-thiazol-2-imine
CID 23937864
(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 6906250
4-(furan-2-yl)-3-[(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23992310

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23734742) is N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is COc1ccccc1/N=c1\scc(C)n1N=Cc1ccc(C)s1.
What is the InChIKey of N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is APAVWYZTWCYYOA-RXXLNGFJSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-11-22-17(19-15-6-4-5-7-16(15)21-3)20(12)18-10-14-9-8-13(2)23-14/h4-11H,1-3H3/b18-10?,19-17-.
What are the key properties of N-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
N-(2-methoxyphenyl)-4-methyl-3-[(5-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-(2-methoxyphenyl)-4-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23734742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).