2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole

C20H17N3OS2 — CID 7146150

IUPAC2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CSc3nc(C)nc4ccccc34)cs2)cc1
InChIInChI=1S/C20H17N3OS2/c1-13-21-18-6-4-3-5-17(18)20(22-13)26-12-15-11-25-19(23-15)14-7-9-16(24-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyRLCMGWGGFIADTC-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.36
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole

2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 7146150) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID7146150
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(CSc3nc(C)nc4ccccc34)cs2)cc1
InChIInChI=1S/C20H17N3OS2/c1-13-21-18-6-4-3-5-17(18)20(22-13)26-12-15-11-25-19(23-15)14-7-9-16(24-2)10-8-14/h3-11H,12H2,1-2H3
InChIKeyRLCMGWGGFIADTC-UHFFFAOYSA-N
XLogP5.36
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole
CID 134056008
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylquinazolin-4-one
CID 18081752
2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-3-propylquinazolin-4-one
CID 31097218
4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2348516
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7896474
4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2367855
1-(4-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145313
4-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31393737
4-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-2-methylquinazoline
CID 7145338
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24522023
4-[[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 16581391
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112774769

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole (CID 7146150) is 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole is COc1ccc(-c2nc(CSc3nc(C)nc4ccccc34)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is RLCMGWGGFIADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c1-13-21-18-6-4-3-5-17(18)20(22-13)26-12-15-11-25-19(23-15)14-7-9-16(24-2)10-8-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole?
2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 379.51 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 7146150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).