5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine

C13H17N3OS — CID 106901116

IUPAC5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(CNc2snc(N)c2OC)cc1
InChIInChI=1S/C13H17N3OS/c1-3-9-4-6-10(7-5-9)8-15-13-11(17-2)12(14)16-18-13/h4-7,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyNOABHYXHZPFQED-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.91
Rot. Bonds5

About 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine

5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine (PubChem CID 106901116) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
PubChem CID106901116
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCCc1ccc(CNc2snc(N)c2OC)cc1
InChIInChI=1S/C13H17N3OS/c1-3-9-4-6-10(7-5-9)8-15-13-11(17-2)12(14)16-18-13/h4-7,15H,3,8H2,1-2H3,(H2,14,16)
InChIKeyNOABHYXHZPFQED-UHFFFAOYSA-N
XLogP2.91
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380667
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103383188
4-ethylsulfonyl-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363537
4-methyl-5-N-[(4-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103363729
5-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 114140206
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
3-N-[(4-ethylphenyl)methyl]pyrazine-2,3-diamine
CID 103634007
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162

Frequently Asked Questions

What is the IUPAC name of 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine (CID 106901116) is 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine is CCc1ccc(CNc2snc(N)c2OC)cc1.
What is the InChIKey of 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
The InChIKey is NOABHYXHZPFQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-9-4-6-10(7-5-9)8-15-13-11(17-2)12(14)16-18-13/h4-7,15H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine?
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106901116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).