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

C18H17NO2S2 — CID 52772137

IUPAC2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(CSc3ccccc3OC)cs2)c1
InChIInChI=1S/C18H17NO2S2/c1-20-15-7-5-6-13(10-15)18-19-14(12-23-18)11-22-17-9-4-3-8-16(17)21-2/h3-10,12H,11H2,1-2H3
InChIKeyBZGVOPPTKLGVME-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.12
Rot. Bonds6

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

2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 52772137) has the molecular formula C18H17NO2S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID52772137
Molecular FormulaC18H17NO2S2
Molecular Weight343.47 g/mol
Exact Mass343.07
IUPAC Name2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole
SMILESCOc1cccc(-c2nc(CSc3ccccc3OC)cs2)c1
InChIInChI=1S/C18H17NO2S2/c1-20-15-7-5-6-13(10-15)18-19-14(12-23-18)11-22-17-9-4-3-8-16(17)21-2/h3-10,12H,11H2,1-2H3
InChIKeyBZGVOPPTKLGVME-UHFFFAOYSA-N
XLogP5.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine
CID 7978022
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
2-(3-methoxyphenyl)-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 42989865
2-(3-methoxyphenyl)-4-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 7903148
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
4-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 51302404
4-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2348516
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 16505758
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
2-(2,4-dimethoxyphenyl)-4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 55546719

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole (CID 52772137) is 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole is COc1cccc(-c2nc(CSc3ccccc3OC)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is BZGVOPPTKLGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S2/c1-20-15-7-5-6-13(10-15)18-19-14(12-23-18)11-22-17-9-4-3-8-16(17)21-2/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole?
2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 343.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 52772137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).