5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C15H18N2S — CID 43558971

IUPAC5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCc1cnc(C2(N)CCCCc3ccccc32)s1
InChIInChI=1S/C15H18N2S/c1-11-10-17-14(18-11)15(16)9-5-4-7-12-6-2-3-8-13(12)15/h2-3,6,8,10H,4-5,7,9,16H2,1H3
InChIKeyHZKOLRAANFYWOT-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.38
Rot. Bonds1

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

5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 43558971) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID43558971
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESCc1cnc(C2(N)CCCCc3ccccc32)s1
InChIInChI=1S/C15H18N2S/c1-11-10-17-14(18-11)15(16)9-5-4-7-12-6-2-3-8-13(12)15/h2-3,6,8,10H,4-5,7,9,16H2,1H3
InChIKeyHZKOLRAANFYWOT-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 43558971) is 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is Cc1cnc(C2(N)CCCCc3ccccc32)s1.
What is the InChIKey of 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is HZKOLRAANFYWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-10-17-14(18-11)15(16)9-5-4-7-12-6-2-3-8-13(12)15/h2-3,6,8,10H,4-5,7,9,16H2,1H3.
What are the key properties of 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 258.39 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-thiazol-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 43558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).