2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline

C22H24N2S — CID 144794424

IUPAC2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCc1cc(Cc2csc(-c3ccc4c(c3)CC(C)CC4)n2)ccc1N
InChIInChI=1S/C22H24N2S/c1-14-3-5-17-6-7-18(12-19(17)9-14)22-24-20(13-25-22)11-16-4-8-21(23)15(2)10-16/h4,6-8,10,12-14H,3,5,9,11,23H2,1-2H3
InChIKeyVDITUACABUBCPQ-UHFFFAOYSA-N
MW348.52 g/mol
LogP5.42
Rot. Bonds3

About 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline

2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline (PubChem CID 144794424) has the molecular formula C22H24N2S and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline
PubChem CID144794424
Molecular FormulaC22H24N2S
Molecular Weight348.52 g/mol
Exact Mass348.17
IUPAC Name2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline
SMILESCc1cc(Cc2csc(-c3ccc4c(c3)CC(C)CC4)n2)ccc1N
InChIInChI=1S/C22H24N2S/c1-14-3-5-17-6-7-18(12-19(17)9-14)22-24-20(13-25-22)11-16-4-8-21(23)15(2)10-16/h4,6-8,10,12-14H,3,5,9,11,23H2,1-2H3
InChIKeyVDITUACABUBCPQ-UHFFFAOYSA-N
XLogP5.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methyl-5-(2-methylcyclopropyl)-4-[[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-thiazol-4-yl]methyl]phenyl]ethanamine
CID 144794698
4-[4-[(4-amino-2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]benzonitrile
CID 144794792
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
1-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 106818197
2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole
CID 19369885
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
CID 155059275
2-(7,7-difluoro-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)-4-[[2,5-dimethyl-4-(2-nitroethyl)phenyl]methyl]-1,3-thiazole
CID 144795050
2-methyl-5-propan-2-yloxy-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]aniline
CID 144676340
1-[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868245
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889549
2-methyl-4-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]-5-(trifluoromethyl)aniline
CID 90322260
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline?
The IUPAC name of 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline (CID 144794424) is 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline.
What is the SMILES notation for 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline?
The canonical SMILES for 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline is Cc1cc(Cc2csc(-c3ccc4c(c3)CC(C)CC4)n2)ccc1N.
What is the InChIKey of 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline?
The InChIKey is VDITUACABUBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2S/c1-14-3-5-17-6-7-18(12-19(17)9-14)22-24-20(13-25-22)11-16-4-8-21(23)15(2)10-16/h4,6-8,10,12-14H,3,5,9,11,23H2,1-2H3.
What are the key properties of 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline?
2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline has a molecular weight of 348.52 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-(7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-yl]methyl]aniline is sourced from PubChem (CID 144794424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).