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

C14H18N2OS — CID 116967295

IUPAC2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C14H18N2OS/c1-3-10(8-15)14-16-13(9-18-14)11-4-6-12(17-2)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeySSBYBJFDVDCIKH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.27
Rot. Bonds5

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

2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 116967295) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
PubChem CID116967295
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine
SMILESCCC(CN)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C14H18N2OS/c1-3-10(8-15)14-16-13(9-18-14)11-4-6-12(17-2)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeySSBYBJFDVDCIKH-UHFFFAOYSA-N
XLogP3.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967292
(1S,2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylbutan-1-amine
CID 67292696
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967248
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116967305
[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazine
CID 5211248
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-4-pentan-3-yl-N-propan-2-ylaniline
CID 69187320
(2S)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-oxoheptanenitrile
CID 94815121
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
4-(4-ethoxyphenyl)-2-methoxy-1,3-thiazole
CID 116967744
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine (CID 116967295) is 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine is CCC(CN)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is SSBYBJFDVDCIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-10(8-15)14-16-13(9-18-14)11-4-6-12(17-2)7-5-11/h4-7,9-10H,3,8,15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine?
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 262.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 116967295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).