1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine

C16H22N2S — CID 61337044

IUPAC1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2ccc(CC)cc2)c(C)s1
InChIInChI=1S/C16H22N2S/c1-4-6-14(17)16-18-15(11(3)19-16)13-9-7-12(5-2)8-10-13/h7-10,14H,4-6,17H2,1-3H3
InChIKeyKZEBSIHRWLZEOP-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.48
Rot. Bonds5

About 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine

1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine (PubChem CID 61337044) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
PubChem CID61337044
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc(-c2ccc(CC)cc2)c(C)s1
InChIInChI=1S/C16H22N2S/c1-4-6-14(17)16-18-15(11(3)19-16)13-9-7-12(5-2)8-10-13/h7-10,14H,4-6,17H2,1-3H3
InChIKeyKZEBSIHRWLZEOP-UHFFFAOYSA-N
XLogP4.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
The IUPAC name of 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine (CID 61337044) is 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine is CCCC(N)c1nc(-c2ccc(CC)cc2)c(C)s1.
What is the InChIKey of 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
The InChIKey is KZEBSIHRWLZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-4-6-14(17)16-18-15(11(3)19-16)13-9-7-12(5-2)8-10-13/h7-10,14H,4-6,17H2,1-3H3.
What are the key properties of 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine?
1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine is sourced from PubChem (CID 61337044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).