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

C15H19ClN2S — CID 170425243

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
SMILESCc1ncsc1-c1ccc2c(c1)CCCCC2N.Cl
InChIInChI=1S/C15H18N2S.ClH/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;1H
InChIKeyUDGFSYMDBJJJED-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.27
Rot. Bonds1

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

2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride (PubChem CID 170425243) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 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;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
PubChem CID170425243
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride
SMILESCc1ncsc1-c1ccc2c(c1)CCCCC2N.Cl
InChIInChI=1S/C15H18N2S.ClH/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;1H
InChIKeyUDGFSYMDBJJJED-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.27
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;hydrochloride 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
CID 170425244
(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
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
1-cyclopropyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hydrazine;hydrochloride
CID 175127479
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
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
(1S)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 162344374
2-(cyclobutylamino)-4-(4-methyl-1,3-thiazol-5-yl)benzonitrile
CID 177309377
5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-amine
CID 114081094

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;hydrochloride?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride (CID 170425243) is 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride is Cc1ncsc1-c1ccc2c(c1)CCCCC2N.Cl.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride?
The InChIKey is UDGFSYMDBJJJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S.ClH/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;1H.
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;hydrochloride?
2-(4-methyl-1,3-thiazol-5-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine;hydrochloride has a molecular weight of 294.85 g/mol, XLogP of 4.27, 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;hydrochloride is sourced from PubChem (CID 170425243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).