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

C16H22N2OS — CID 103786270

IUPAC4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ncc(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-12(17-11-16-18-10-13(2)20-16)4-5-14-6-8-15(19-3)9-7-14/h6-10,12,17H,4-5,11H2,1-3H3
InChIKeyJILMXYLEJLFLRB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.57
Rot. Bonds7

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

4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine (PubChem CID 103786270) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
PubChem CID103786270
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ncc(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-12(17-11-16-18-10-13(2)20-16)4-5-14-6-8-15(19-3)9-7-14/h6-10,12,17H,4-5,11H2,1-3H3
InChIKeyJILMXYLEJLFLRB-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
1-(6-methoxynaphthalen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700671
1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103910978
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
4-(4-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 61013750
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
CID 106414728
6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
CID 104924918
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine (CID 103786270) is 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine is COc1ccc(CCC(C)NCc2ncc(C)s2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
The InChIKey is JILMXYLEJLFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(17-11-16-18-10-13(2)20-16)4-5-14-6-8-15(19-3)9-7-14/h6-10,12,17H,4-5,11H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine?
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 103786270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).