2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

C11H12N2OS — CID 56810315

IUPAC2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccccc1NCc1cscn1
InChIInChI=1S/C11H12N2OS/c1-14-11-5-3-2-4-10(11)12-6-9-7-15-8-13-9/h2-5,7-8,12H,6H2,1H3
InChIKeyUTVJQDZFBFAWFD-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.76
Rot. Bonds4

About 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline

2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 56810315) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID56810315
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESCOc1ccccc1NCc1cscn1
InChIInChI=1S/C11H12N2OS/c1-14-11-5-3-2-4-10(11)12-6-9-7-15-8-13-9/h2-5,7-8,12H,6H2,1H3
InChIKeyUTVJQDZFBFAWFD-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline (CID 56810315) is 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is COc1ccccc1NCc1cscn1.
What is the InChIKey of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is UTVJQDZFBFAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-11-5-3-2-4-10(11)12-6-9-7-15-8-13-9/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline?
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline has a molecular weight of 220.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 56810315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).