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

C18H13ClN2O2S2 — CID 55318268

IUPAC5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
SMILESCOc1ccccc1-c1nc(CSc2nc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C18H13ClN2O2S2/c1-22-15-5-3-2-4-13(15)17-20-12(9-24-17)10-25-18-21-14-8-11(19)6-7-16(14)23-18/h2-9H,10H2,1H3
InChIKeyBXFFPMRXCSKPBA-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.91
Rot. Bonds5

About 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole

5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole (PubChem CID 55318268) has the molecular formula C18H13ClN2O2S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
PubChem CID55318268
Molecular FormulaC18H13ClN2O2S2
Molecular Weight388.90 g/mol
Exact Mass388.01
IUPAC Name5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
SMILESCOc1ccccc1-c1nc(CSc2nc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C18H13ClN2O2S2/c1-22-15-5-3-2-4-13(15)17-20-12(9-24-17)10-25-18-21-14-8-11(19)6-7-16(14)23-18/h2-9H,10H2,1H3
InChIKeyBXFFPMRXCSKPBA-UHFFFAOYSA-N
XLogP5.91
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 16539589
5-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-benzoxazole
CID 2408981
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2379808
2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 9405825
4-[(4-fluorophenyl)sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 112775383
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 4793112
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111542481
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(4-ethylphenyl)acetamide
CID 112779904
2-[[2-[(4-bromo-3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-7-chloro-1,3-benzoxazole
CID 46083340
4-[(5-chloro-1-methylbenzimidazol-2-yl)sulfanylmethyl]-2-(2,4-dimethoxyphenyl)-1,3-thiazole
CID 52644610
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 32758499

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole (CID 55318268) is 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole is COc1ccccc1-c1nc(CSc2nc3cc(Cl)ccc3o2)cs1.
What is the InChIKey of 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
The InChIKey is BXFFPMRXCSKPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2S2/c1-22-15-5-3-2-4-13(15)17-20-12(9-24-17)10-25-18-21-14-8-11(19)6-7-16(14)23-18/h2-9H,10H2,1H3.
What are the key properties of 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole?
5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole has a molecular weight of 388.90 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 55318268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).