5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

C11H12N2OS — CID 3133052

IUPAC5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2cnc(N)s2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)6-10-7-13-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyMSYFQOUPMXMROC-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.32
Rot. Bonds3

About 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 3133052) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID3133052
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2cnc(N)s2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)6-10-7-13-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyMSYFQOUPMXMROC-UHFFFAOYSA-N
XLogP2.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 3133052) is 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(Cc2cnc(N)s2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MSYFQOUPMXMROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-9-4-2-8(3-5-9)6-10-7-13-11(12)15-10/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 3133052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).