(4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole

C14H14N2S — CID 146331684

IUPAC(4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole
SMILESCc1ccc2cc(C3=N[C@H](C)CS3)cnc2c1
InChIInChI=1S/C14H14N2S/c1-9-3-4-11-6-12(7-15-13(11)5-9)14-16-10(2)8-17-14/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyCOCMCXMSBPBRHG-SNVBAGLBSA-N
MW242.35 g/mol
LogP3.43
Rot. Bonds1

About (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole

(4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 146331684) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole
PubChem CID146331684
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name(4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole
SMILESCc1ccc2cc(C3=N[C@H](C)CS3)cnc2c1
InChIInChI=1S/C14H14N2S/c1-9-3-4-11-6-12(7-15-13(11)5-9)14-16-10(2)8-17-14/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKeyCOCMCXMSBPBRHG-SNVBAGLBSA-N
XLogP3.43
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole (CID 146331684) is (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole is Cc1ccc2cc(C3=N[C@H](C)CS3)cnc2c1.
What is the InChIKey of (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is COCMCXMSBPBRHG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N2S/c1-9-3-4-11-6-12(7-15-13(11)5-9)14-16-10(2)8-17-14/h3-7,10H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole?
(4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 242.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-(7-methylquinolin-3-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 146331684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).