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

C17H17N3OS2 — CID 23792353

IUPAC4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2)n1N=Cc1sccc1C
InChIInChI=1S/C17H17N3OS2/c1-12-8-9-22-16(12)10-19-20-15(11-23-17(20)18-2)13-4-6-14(21-3)7-5-13/h4-11H,1-3H3/b18-17-,19-10?
InChIKeyPVIUWXCBZABZMH-OBPOFPIRSA-N
MW343.48 g/mol
LogP4.01
Rot. Bonds4

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

4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23792353) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23792353
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2)n1N=Cc1sccc1C
InChIInChI=1S/C17H17N3OS2/c1-12-8-9-22-16(12)10-19-20-15(11-23-17(20)18-2)13-4-6-14(21-3)7-5-13/h4-11H,1-3H3/b18-17-,19-10?
InChIKeyPVIUWXCBZABZMH-OBPOFPIRSA-N
XLogP4.01
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 ≤ 54.01
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

3-[(4-bromophenyl)methylideneamino]-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23966226
(Z)-4-(4-methoxyphenyl)-N-methyl-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 9390315
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
2-bromo-6-methoxy-4-[(E)-[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691252
4-(2,5-dimethoxyphenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23935360
3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23939187
4-(3,4-dimethylphenyl)-N-methyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23852251
N-(3-methoxyphenyl)-4-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23767240
4-(4-chlorophenyl)-N-methyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 4314416
4-[[4-(4-methoxyphenyl)-2-propan-2-ylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135710039
4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 4286455
2-[N-[4-(3,4-dimethylphenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135739978

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23792353) is 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC)cc2)n1N=Cc1sccc1C.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is PVIUWXCBZABZMH-OBPOFPIRSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-12-8-9-22-16(12)10-19-20-15(11-23-17(20)18-2)13-4-6-14(21-3)7-5-13/h4-11H,1-3H3/b18-17-,19-10?.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 343.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23792353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).