4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole

C20H16N2S2 — CID 2367855

IUPAC4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCc1cc(SCc2csc(-c3ccccc3)n2)nc2ccccc12
InChIInChI=1S/C20H16N2S2/c1-14-11-19(22-18-10-6-5-9-17(14)18)23-12-16-13-24-20(21-16)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3
InChIKeyDDGFYVQWTDHILH-UHFFFAOYSA-N
MW348.50 g/mol
LogP5.96
Rot. Bonds4

About 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole

4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2367855) has the molecular formula C20H16N2S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2367855
Molecular FormulaC20H16N2S2
Molecular Weight348.50 g/mol
Exact Mass348.08
IUPAC Name4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCc1cc(SCc2csc(-c3ccccc3)n2)nc2ccccc12
InChIInChI=1S/C20H16N2S2/c1-14-11-19(22-18-10-6-5-9-17(14)18)23-12-16-13-24-20(21-16)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3
InChIKeyDDGFYVQWTDHILH-UHFFFAOYSA-N
XLogP5.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2348516
N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31207857
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150
2-[(4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2456270
4,6-dimethyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3-carbonitrile
CID 4858805
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-3-propylquinazolin-4-one
CID 2339607
3-ethyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 7907166
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-(2-methylphenyl)-4-[[4-methyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 19727375
4-(3-chloropropyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 114754541
3-methyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 2433072
3-[(4-methylquinolin-2-yl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901044

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2367855) is 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole is Cc1cc(SCc2csc(-c3ccccc3)n2)nc2ccccc12.
What is the InChIKey of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is DDGFYVQWTDHILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2S2/c1-14-11-19(22-18-10-6-5-9-17(14)18)23-12-16-13-24-20(21-16)15-7-3-2-4-8-15/h2-11,13H,12H2,1H3.
What are the key properties of 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 348.50 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2367855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).