[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine

C14H13N3S2 — CID 43669537

IUPAC[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
SMILESCc1csc(Sc2c(CN)cnc3ccccc23)n1
InChIInChI=1S/C14H13N3S2/c1-9-8-18-14(17-9)19-13-10(6-15)7-16-12-5-3-2-4-11(12)13/h2-5,7-8H,6,15H2,1H3
InChIKeyDYHAUBWQUYAOQZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.61
Rot. Bonds3

About [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine

[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine (PubChem CID 43669537) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
PubChem CID43669537
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
SMILESCc1csc(Sc2c(CN)cnc3ccccc23)n1
InChIInChI=1S/C14H13N3S2/c1-9-8-18-14(17-9)19-13-10(6-15)7-16-12-5-3-2-4-11(12)13/h2-5,7-8H,6,15H2,1H3
InChIKeyDYHAUBWQUYAOQZ-UHFFFAOYSA-N
XLogP3.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine?
The IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine (CID 43669537) is [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine.
What is the SMILES notation for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine?
The canonical SMILES for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine is Cc1csc(Sc2c(CN)cnc3ccccc23)n1.
What is the InChIKey of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine?
The InChIKey is DYHAUBWQUYAOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-8-18-14(17-9)19-13-10(6-15)7-16-12-5-3-2-4-11(12)13/h2-5,7-8H,6,15H2,1H3.
What are the key properties of [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine?
[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine is sourced from PubChem (CID 43669537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).