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

C14H13N3S2 — CID 63883545

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
SMILESCc1csc(Sc2cc(CN)c3ccccc3n2)n1
InChIInChI=1S/C14H13N3S2/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,7,15H2,1H3
InChIKeyXOFCEFWOUKOZOV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.61
Rot. Bonds3

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

[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine (PubChem CID 63883545) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
PubChem CID63883545
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine
SMILESCc1csc(Sc2cc(CN)c3ccccc3n2)n1
InChIInChI=1S/C14H13N3S2/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,7,15H2,1H3
InChIKeyXOFCEFWOUKOZOV-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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine (CID 63883545) is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine is Cc1csc(Sc2cc(CN)c3ccccc3n2)n1.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
The InChIKey is XOFCEFWOUKOZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,7,15H2,1H3.
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine?
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-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 [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinolin-4-yl]methanamine is sourced from PubChem (CID 63883545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).