5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine

C22H24N2O2S — CID 136843158

IUPAC5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-14-11-12-18(13-15(14)2)21-16(3)22(24-27(21,25)26)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyIJFPNIHFUSKJIQ-FQEVSTJZSA-N
MW380.51 g/mol
LogP4.44
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine

5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine (PubChem CID 136843158) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine
PubChem CID136843158
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H24N2O2S/c1-14-11-12-18(13-15(14)2)21-16(3)22(24-27(21,25)26)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyIJFPNIHFUSKJIQ-FQEVSTJZSA-N
XLogP4.44
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-dioxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-benzothiazol-3-imine
CID 135682427
N-[(2-chlorophenyl)methyl]-5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135546893
7-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82542063
acetamide;1-(3,4-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene;ethane
CID 142409210
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
2-[(R)-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11903222
1,2,3,4-tetrahydronaphthalen-1-yliminomethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanimidate
CID 163644776
1-amino-3-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 116513428
ethane;1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylimino)-1,3-thiazolidin-3-yl]ethanone
CID 90847935
CID 59863888
CID 59863888
(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 135814070
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine?
The IUPAC name of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine (CID 136843158) is 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine is CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N/C1=N\[C@H]1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine?
The InChIKey is IJFPNIHFUSKJIQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14-11-12-18(13-15(14)2)21-16(3)22(24-27(21,25)26)23-20-10-6-8-17-7-4-5-9-19(17)20/h4-5,7,9,11-13,20H,6,8,10H2,1-3H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine?
5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine has a molecular weight of 380.51 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-thiazol-3-imine is sourced from PubChem (CID 136843158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).