[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine

C11H12N2OS — CID 26722483

IUPAC[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(-c2ncc(CN)s2)c1
InChIInChI=1S/C11H12N2OS/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11/h2-5,7H,6,12H2,1H3
InChIKeyKXXKCTCCCGUWRW-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.28
Rot. Bonds3

About [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine

[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 26722483) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID26722483
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(-c2ncc(CN)s2)c1
InChIInChI=1S/C11H12N2OS/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11/h2-5,7H,6,12H2,1H3
InChIKeyKXXKCTCCCGUWRW-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine (CID 26722483) is [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine is COc1cccc(-c2ncc(CN)s2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is KXXKCTCCCGUWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-9-4-2-3-8(5-9)11-13-7-10(6-12)15-11/h2-5,7H,6,12H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine?
[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 220.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 26722483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).