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

C16H22N2OS — CID 62530583

IUPAC2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCOc1ccc(CC(CN)CCc2scnc2C)cc1
InChIInChI=1S/C16H22N2OS/c1-12-16(20-11-18-12)8-5-14(10-17)9-13-3-6-15(19-2)7-4-13/h3-4,6-7,11,14H,5,8-10,17H2,1-2H3
InChIKeyBDHVYJXDXFTRFK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.21
Rot. Bonds7

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

2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 62530583) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID62530583
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCOc1ccc(CC(CN)CCc2scnc2C)cc1
InChIInChI=1S/C16H22N2OS/c1-12-16(20-11-18-12)8-5-14(10-17)9-13-3-6-15(19-2)7-4-13/h3-4,6-7,11,14H,5,8-10,17H2,1-2H3
InChIKeyBDHVYJXDXFTRFK-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(chloromethyl)-4-(4-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66036397
5-[3-(bromomethyl)-4-(3-methoxyphenyl)butyl]-4-methyl-1,3-thiazole
CID 66041537
N-methyl-2-[(4-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515902
2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515744
2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143101
2-[(4-methoxyphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 55083614
5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 65097604
1-(6-methoxynaphthalen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 63279880
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81371084
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528589
2-[(2-methylphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 66060380

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 62530583) is 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is COc1ccc(CC(CN)CCc2scnc2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is BDHVYJXDXFTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12-16(20-11-18-12)8-5-14(10-17)9-13-3-6-15(19-2)7-4-13/h3-4,6-7,11,14H,5,8-10,17H2,1-2H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 62530583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).