5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

C18H14N4S — CID 45487443

IUPAC5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cccc2ccc(-c3sc(N)nc3-c3ccccn3)nc12
InChIInChI=1S/C18H14N4S/c1-11-5-4-6-12-8-9-14(21-15(11)12)17-16(22-18(19)23-17)13-7-2-3-10-20-13/h2-10H,1H3,(H2,19,22)
InChIKeyGPZVVGLZONKKIO-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.31
Rot. Bonds2

About 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine

5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 45487443) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID45487443
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1cccc2ccc(-c3sc(N)nc3-c3ccccn3)nc12
InChIInChI=1S/C18H14N4S/c1-11-5-4-6-12-8-9-14(21-15(11)12)17-16(22-18(19)23-17)13-7-2-3-10-20-13/h2-10H,1H3,(H2,19,22)
InChIKeyGPZVVGLZONKKIO-UHFFFAOYSA-N
XLogP4.31
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 45487443) is 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine is Cc1cccc2ccc(-c3sc(N)nc3-c3ccccn3)nc12.
What is the InChIKey of 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is GPZVVGLZONKKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-11-5-4-6-12-8-9-14(21-15(11)12)17-16(22-18(19)23-17)13-7-2-3-10-20-13/h2-10H,1H3,(H2,19,22).
What are the key properties of 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 318.41 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methylquinolin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 45487443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).