3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine

C19H23N3S — CID 23739410

IUPAC3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(C)c(C)c2)n1N=CC1CC=CCC1
InChIInChI=1S/C19H23N3S/c1-14-9-10-17(11-15(14)2)18-13-23-19(20-3)22(18)21-12-16-7-5-4-6-8-16/h4-5,9-13,16H,6-8H2,1-3H3/b20-19-,21-12?
InChIKeyQLZLWQNBLBRLFB-RGEOQQOISA-N
MW325.48 g/mol
LogP4.55
Rot. Bonds3

About 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine

3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 23739410) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine
PubChem CID23739410
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(C)c(C)c2)n1N=CC1CC=CCC1
InChIInChI=1S/C19H23N3S/c1-14-9-10-17(11-15(14)2)18-13-23-19(20-3)22(18)21-12-16-7-5-4-6-8-16/h4-5,9-13,16H,6-8H2,1-3H3/b20-19-,21-12?
InChIKeyQLZLWQNBLBRLFB-RGEOQQOISA-N
XLogP4.55
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-[[3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23738484
6-[3-(cyclohex-3-en-1-ylmethylideneamino)-2-(2,4-dichlorophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23826283
(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 6906250
4-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23909173
4-(3,4-dimethylphenyl)-N-prop-2-enyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23852781
4-[[3-(cyclohex-3-en-1-ylmethylideneamino)-4-(2-fluorophenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 23825985
2-[N-[4-(3,4-dimethylphenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135739978
(E)-N-methyl-4-(4-methylphenyl)-3-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6904796
4-(3,4-dichlorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23934529
4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23792353

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine (CID 23739410) is 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(C)c(C)c2)n1N=CC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is QLZLWQNBLBRLFB-RGEOQQOISA-N. The full InChI is InChI=1S/C19H23N3S/c1-14-9-10-17(11-15(14)2)18-13-23-19(20-3)22(18)21-12-16-7-5-4-6-8-16/h4-5,9-13,16H,6-8H2,1-3H3/b20-19-,21-12?.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine?
3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 325.48 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23739410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).