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

C11H11NOS — CID 57476546

IUPAC2-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccc(Cc2nccs2)cc1
InChIInChI=1S/C11H11NOS/c1-13-10-4-2-9(3-5-10)8-11-12-6-7-14-11/h2-7H,8H2,1H3
InChIKeyLJJACZBSPPAXEZ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.74
Rot. Bonds3

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

2-[(4-methoxyphenyl)methyl]-1,3-thiazole (PubChem CID 57476546) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-1,3-thiazole
PubChem CID57476546
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-[(4-methoxyphenyl)methyl]-1,3-thiazole
SMILESCOc1ccc(Cc2nccs2)cc1
InChIInChI=1S/C11H11NOS/c1-13-10-4-2-9(3-5-10)8-11-12-6-7-14-11/h2-7H,8H2,1H3
InChIKeyLJJACZBSPPAXEZ-UHFFFAOYSA-N
XLogP2.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824884
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
2-methoxy-5-(1,3-thiazol-2-ylmethyl)benzaldehyde
CID 79823849
2-(4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110715683
N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
CID 110388302
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
4-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715752
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
CID 79046617
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)cyclobutan-1-amine
CID 61285030
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazol-2-amine
CID 78978381

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-1,3-thiazole (CID 57476546) is 2-[(4-methoxyphenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-1,3-thiazole is COc1ccc(Cc2nccs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
The InChIKey is LJJACZBSPPAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-13-10-4-2-9(3-5-10)8-11-12-6-7-14-11/h2-7H,8H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-1,3-thiazole?
2-[(4-methoxyphenyl)methyl]-1,3-thiazole has a molecular weight of 205.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 57476546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).