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

C16H20N2S — CID 63280017

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ncsc1CNC1CCCCc2ccccc21
InChIInChI=1S/C16H20N2S/c1-12-16(19-11-18-12)10-17-15-9-5-3-7-13-6-2-4-8-14(13)15/h2,4,6,8,11,15,17H,3,5,7,9-10H2,1H3
InChIKeyCDNUTHTYPGXXJF-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.01
Rot. Bonds3

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63280017) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63280017
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCc1ncsc1CNC1CCCCc2ccccc21
InChIInChI=1S/C16H20N2S/c1-12-16(19-11-18-12)10-17-15-9-5-3-7-13-6-2-4-8-14(13)15/h2,4,6,8,11,15,17H,3,5,7,9-10H2,1H3
InChIKeyCDNUTHTYPGXXJF-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63279810
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 54884775
N-[(5-methyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80708052
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
(1R)-N-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 31558709
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
2-[3,5-dimethyl-4-[[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95733883
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63280017) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cc1ncsc1CNC1CCCCc2ccccc21.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is CDNUTHTYPGXXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-16(19-11-18-12)10-17-15-9-5-3-7-13-6-2-4-8-14(13)15/h2,4,6,8,11,15,17H,3,5,7,9-10H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 272.42 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63280017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).