4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine

C15H20N2OS — CID 115732215

IUPAC4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2cncs2)cc1
InChIInChI=1S/C15H20N2OS/c1-12(17-10-15-9-16-11-19-15)3-4-13-5-7-14(18-2)8-6-13/h5-9,11-12,17H,3-4,10H2,1-2H3
InChIKeyIMEYRKCGPDAINP-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.26
Rot. Bonds7

About 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine

4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine (PubChem CID 115732215) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
PubChem CID115732215
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2cncs2)cc1
InChIInChI=1S/C15H20N2OS/c1-12(17-10-15-9-16-11-19-15)3-4-13-5-7-14(18-2)8-6-13/h5-9,11-12,17H,3-4,10H2,1-2H3
InChIKeyIMEYRKCGPDAINP-UHFFFAOYSA-N
XLogP3.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
4-(4-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)butan-2-amine
CID 106414728
5-methyl-N-(1,3-thiazol-5-ylmethyl)hexan-2-amine
CID 62759038
(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
3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 81421993
(3R)-3-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 103854616
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
5-[[[(2R)-4-(4-methoxyphenyl)butan-2-yl]amino]methyl]-1H-1,2,4-triazol-3-amine
CID 125434909
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
4-(4-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 63002181

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine (CID 115732215) is 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine is COc1ccc(CCC(C)NCc2cncs2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
The InChIKey is IMEYRKCGPDAINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12(17-10-15-9-16-11-19-15)3-4-13-5-7-14(18-2)8-6-13/h5-9,11-12,17H,3-4,10H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine?
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.26, 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-(1,3-thiazol-5-ylmethyl)butan-2-amine is sourced from PubChem (CID 115732215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).