[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine

C15H13N5S — CID 123903301

IUPAC[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine
SMILESCn1cnc2cnc3ccc(-c4cnc(CN)s4)cc3c21
InChIInChI=1S/C15H13N5S/c1-20-8-19-12-6-17-11-3-2-9(4-10(11)15(12)20)13-7-18-14(5-16)21-13/h2-4,6-8H,5,16H2,1H3
InChIKeySJXDBJSHUYVDCW-UHFFFAOYSA-N
MW295.37 g/mol
LogP2.70
Rot. Bonds2

About [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine

[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 123903301) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID123903301
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine
SMILESCn1cnc2cnc3ccc(-c4cnc(CN)s4)cc3c21
InChIInChI=1S/C15H13N5S/c1-20-8-19-12-6-17-11-3-2-9(4-10(11)15(12)20)13-7-18-14(5-16)21-13/h2-4,6-8H,5,16H2,1H3
InChIKeySJXDBJSHUYVDCW-UHFFFAOYSA-N
XLogP2.70
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine (CID 123903301) is [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine is Cn1cnc2cnc3ccc(-c4cnc(CN)s4)cc3c21.
What is the InChIKey of [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is SJXDBJSHUYVDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-20-8-19-12-6-17-11-3-2-9(4-10(11)15(12)20)13-7-18-14(5-16)21-13/h2-4,6-8H,5,16H2,1H3.
What are the key properties of [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine?
[5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 295.37 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylimidazo[4,5-c]quinolin-8-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 123903301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).