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

C11H13ClN2OS — CID 56810314

IUPAC2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride
SMILESCOc1ccccc1NCc1cscn1.Cl
InChIInChI=1S/C11H12N2OS.ClH/c1-14-11-5-3-2-4-10(11)12-6-9-7-15-8-13-9;/h2-5,7-8,12H,6H2,1H3;1H
InChIKeyHXWSKPSEFRJWLP-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.19
Rot. Bonds4

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

2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride (PubChem CID 56810314) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride
PubChem CID56810314
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride
SMILESCOc1ccccc1NCc1cscn1.Cl
InChIInChI=1S/C11H12N2OS.ClH/c1-14-11-5-3-2-4-10(11)12-6-9-7-15-8-13-9;/h2-5,7-8,12H,6H2,1H3;1H
InChIKeyHXWSKPSEFRJWLP-UHFFFAOYSA-N
XLogP3.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.19
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;hydrochloride?
The IUPAC name of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride (CID 56810314) is 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride.
What is the SMILES notation for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride?
The canonical SMILES for 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride is COc1ccccc1NCc1cscn1.Cl.
What is the InChIKey of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride?
The InChIKey is HXWSKPSEFRJWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.ClH/c1-14-11-5-3-2-4-10(11)12-6-9-7-15-8-13-9;/h2-5,7-8,12H,6H2,1H3;1H.
What are the key properties of 2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride?
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride has a molecular weight of 256.76 g/mol, XLogP of 3.19, 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;hydrochloride is sourced from PubChem (CID 56810314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).