2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole

C13H14N2O2S — CID 82090815

IUPAC2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole
SMILESCOc1ccc(OCc2nc3c(s2)CCN3)cc1
InChIInChI=1S/C13H14N2O2S/c1-16-9-2-4-10(5-3-9)17-8-12-15-13-11(18-12)6-7-14-13/h2-5,14H,6-8H2,1H3
InChIKeyOLXKIJXJZIQIPX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.70
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole

2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole (PubChem CID 82090815) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole
PubChem CID82090815
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole
SMILESCOc1ccc(OCc2nc3c(s2)CCN3)cc1
InChIInChI=1S/C13H14N2O2S/c1-16-9-2-4-10(5-3-9)17-8-12-15-13-11(18-12)6-7-14-13/h2-5,14H,6-8H2,1H3
InChIKeyOLXKIJXJZIQIPX-UHFFFAOYSA-N
XLogP2.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenoxy)methyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-b]pyridine
CID 82090230
[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440580
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-[(4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903977
2-[(4-fluorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434266
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82438754
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole (CID 82090815) is 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole is COc1ccc(OCc2nc3c(s2)CCN3)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole?
The InChIKey is OLXKIJXJZIQIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-16-9-2-4-10(5-3-9)17-8-12-15-13-11(18-12)6-7-14-13/h2-5,14H,6-8H2,1H3.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole?
2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole has a molecular weight of 262.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole is sourced from PubChem (CID 82090815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).