2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole

C16H12N4S — CID 14742548

IUPAC2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
SMILESc1cnc2c(-c3csc(Cc4cnc[nH]4)n3)cccc2c1
InChIInChI=1S/C16H12N4S/c1-3-11-4-2-6-18-16(11)13(5-1)14-9-21-15(20-14)7-12-8-17-10-19-12/h1-6,8-10H,7H2,(H,17,19)
InChIKeyCROJPXZZVIHMPL-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.67
Rot. Bonds3

About 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole

2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole (PubChem CID 14742548) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
PubChem CID14742548
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole
SMILESc1cnc2c(-c3csc(Cc4cnc[nH]4)n3)cccc2c1
InChIInChI=1S/C16H12N4S/c1-3-11-4-2-6-18-16(11)13(5-1)14-9-21-15(20-14)7-12-8-17-10-19-12/h1-6,8-10H,7H2,(H,17,19)
InChIKeyCROJPXZZVIHMPL-UHFFFAOYSA-N
XLogP3.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole (CID 14742548) is 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole is c1cnc2c(-c3csc(Cc4cnc[nH]4)n3)cccc2c1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole?
The InChIKey is CROJPXZZVIHMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-3-11-4-2-6-18-16(11)13(5-1)14-9-21-15(20-14)7-12-8-17-10-19-12/h1-6,8-10H,7H2,(H,17,19).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole?
2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole has a molecular weight of 292.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-4-quinolin-8-yl-1,3-thiazole is sourced from PubChem (CID 14742548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).