2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C15H18N2S — CID 170425244

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ncsc1-c1ccc2c(c1)CCCCC2N
InChIInChI=1S/C15H18N2S/c1-10-15(18-9-17-10)12-6-7-13-11(8-12)4-2-3-5-14(13)16/h6-9,14H,2-5,16H2,1H3
InChIKeyVAKXYUTVMZLGDT-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.84
Rot. Bonds1

About 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 170425244) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID170425244
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ncsc1-c1ccc2c(c1)CCCCC2N
InChIInChI=1S/C15H18N2S/c1-10-15(18-9-17-10)12-6-7-13-11(8-12)4-2-3-5-14(13)16/h6-9,14H,2-5,16H2,1H3
InChIKeyVAKXYUTVMZLGDT-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
CID 170425243
(1S)-5-(4-methyl-1,3-thiazol-5-yl)-2,3-dihydro-1H-inden-1-amine
CID 155390909
[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
3-(4-methyl-1,3-thiazol-5-yl)aniline
CID 165438455
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
5-(3,4-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 114081049
4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 135356278
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
2-(cyclobutylamino)-4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
CID 177309377
6-N-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 83816639
5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
CID 114081094
1-cyclopropyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hydrazine;hydrochloride
CID 175127479

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 170425244) is 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cc1ncsc1-c1ccc2c(c1)CCCCC2N.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is VAKXYUTVMZLGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-15(18-9-17-10)12-6-7-13-11(8-12)4-2-3-5-14(13)16/h6-9,14H,2-5,16H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 258.39 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 170425244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).