2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole

C18H14N2O2S2 — CID 16539589

IUPAC2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
SMILESCOc1ccccc1-c1nc(CSc2nc3ccccc3o2)cs1
InChIInChI=1S/C18H14N2O2S2/c1-21-15-8-4-2-6-13(15)17-19-12(10-23-17)11-24-18-20-14-7-3-5-9-16(14)22-18/h2-10H,11H2,1H3
InChIKeyCQMNFDYVTZSMSC-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.25
Rot. Bonds5

About 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole

2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole (PubChem CID 16539589) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
PubChem CID16539589
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
SMILESCOc1ccccc1-c1nc(CSc2nc3ccccc3o2)cs1
InChIInChI=1S/C18H14N2O2S2/c1-21-15-8-4-2-6-13(15)17-19-12(10-23-17)11-24-18-20-14-7-3-5-9-16(14)22-18/h2-10H,11H2,1H3
InChIKeyCQMNFDYVTZSMSC-UHFFFAOYSA-N
XLogP5.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 55318268
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 9405825
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 32758499
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3-benzoxazole
CID 47008823
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111542481
4-(2-bromoethyl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 82094625
5-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-benzoxazole
CID 2408981
N-[4-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 4825395
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
2-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 34965167

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole (CID 16539589) is 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole is COc1ccccc1-c1nc(CSc2nc3ccccc3o2)cs1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The InChIKey is CQMNFDYVTZSMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-21-15-8-4-2-6-13(15)17-19-12(10-23-17)11-24-18-20-14-7-3-5-9-16(14)22-18/h2-10H,11H2,1H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole has a molecular weight of 354.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 16539589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).