2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium

C12H15N2OS+ — CID 7241954

IUPAC2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
SMILESCOc1ccc(-c2csc(CC[NH3+])n2)cc1
InChIInChI=1S/C12H14N2OS/c1-15-10-4-2-9(3-5-10)11-8-16-12(14-11)6-7-13/h2-5,8H,6-7,13H2,1H3/p+1
InChIKeyBSDHUSABSLTXMT-UHFFFAOYSA-O
MW235.33 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium (PubChem CID 7241954) has the molecular formula C12H15N2OS+ and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
PubChem CID7241954
Molecular FormulaC12H15N2OS+
Molecular Weight235.33 g/mol
Exact Mass235.09
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
SMILESCOc1ccc(-c2csc(CC[NH3+])n2)cc1
InChIInChI=1S/C12H14N2OS/c1-15-10-4-2-9(3-5-10)11-8-16-12(14-11)6-7-13/h2-5,8H,6-7,13H2,1H3/p+1
InChIKeyBSDHUSABSLTXMT-UHFFFAOYSA-O
XLogP1.60
TPSA49.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-propan-2-yloxyethyl)propanamide
CID 110418857
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium (CID 7241954) is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium is COc1ccc(-c2csc(CC[NH3+])n2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium?
The InChIKey is BSDHUSABSLTXMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14N2OS/c1-15-10-4-2-9(3-5-10)11-8-16-12(14-11)6-7-13/h2-5,8H,6-7,13H2,1H3/p+1.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium?
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium has a molecular weight of 235.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium is sourced from PubChem (CID 7241954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).