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

C18H21N3OS — CID 23939187

IUPAC3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2)n1N=CC1CC=CCC1
InChIInChI=1S/C18H21N3OS/c1-19-18-21(20-12-14-6-4-3-5-7-14)17(13-23-18)15-8-10-16(22-2)11-9-15/h3-4,8-14H,5-7H2,1-2H3/b19-18-,20-12?
InChIKeyMKOJXRZWBFCBIA-XEAJZJHLSA-N
MW327.45 g/mol
LogP3.95
Rot. Bonds4

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

3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 23939187) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
PubChem CID23939187
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc(OC)cc2)n1N=CC1CC=CCC1
InChIInChI=1S/C18H21N3OS/c1-19-18-21(20-12-14-6-4-3-5-7-14)17(13-23-18)15-8-10-16(22-2)11-9-15/h3-4,8-14H,5-7H2,1-2H3/b19-18-,20-12?
InChIKeyMKOJXRZWBFCBIA-XEAJZJHLSA-N
XLogP3.95
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-imine
CID 23739410
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
4-(4-methoxyphenyl)-N-methyl-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23792353
N-[(E)-cyclohex-3-en-1-ylmethylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 16645489
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
3-(cyclohexylmethylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 4833814
2-bromo-6-methoxy-4-[(E)-[4-(4-methoxyphenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135691252
3-[(4-methoxyphenyl)methylideneamino]-N-methyl-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-imine
CID 3335144
4-(4-chlorophenyl)-N-methyl-3-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 4314416
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
4-(4-chlorophenyl)-3-[(4-ethoxyphenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 4286455

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine (CID 23939187) is 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc(OC)cc2)n1N=CC1CC=CCC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is MKOJXRZWBFCBIA-XEAJZJHLSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-19-18-21(20-12-14-6-4-3-5-7-14)17(13-23-18)15-8-10-16(22-2)11-9-15/h3-4,8-14H,5-7H2,1-2H3/b19-18-,20-12?.
What are the key properties of 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine?
3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 327.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethylideneamino)-4-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23939187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).