4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole

C21H18N2OS2 — CID 2348516

IUPAC4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccc2c(C)cc(SCc3csc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C21H18N2OS2/c1-14-10-20(23-19-11-17(24-2)8-9-18(14)19)25-12-16-13-26-21(22-16)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyMVGKDXKCKUSBHX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.97
Rot. Bonds5

About 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole

4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole (PubChem CID 2348516) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
PubChem CID2348516
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC Name4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
SMILESCOc1ccc2c(C)cc(SCc3csc(-c4ccccc4)n3)nc2c1
InChIInChI=1S/C21H18N2OS2/c1-14-10-20(23-19-11-17(24-2)8-9-18(14)19)25-12-16-13-26-21(22-16)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3
InChIKeyMVGKDXKCKUSBHX-UHFFFAOYSA-N
XLogP5.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2367855
2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2129277
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 7146150
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
CID 52772137
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7896474
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
N-ethyl-N-[4-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 31207857
2-(3-methoxyphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 42989865
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 31097218
3-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78762954
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole (CID 2348516) is 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole is COc1ccc2c(C)cc(SCc3csc(-c4ccccc4)n3)nc2c1.
What is the InChIKey of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
The InChIKey is MVGKDXKCKUSBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c1-14-10-20(23-19-11-17(24-2)8-9-18(14)19)25-12-16-13-26-21(22-16)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3.
What are the key properties of 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole?
4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole has a molecular weight of 378.52 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2348516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).