[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C13H16N2OS — CID 82440089

IUPAC[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(Cc2ccccc2)sc1CN
InChIInChI=1S/C13H16N2OS/c1-16-9-11-12(8-14)17-13(15-11)7-10-5-3-2-4-6-10/h2-6H,7-9,14H2,1H3
InChIKeyBETQXXBYIOQYQG-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.34
Rot. Bonds5

About [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82440089) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82440089
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(Cc2ccccc2)sc1CN
InChIInChI=1S/C13H16N2OS/c1-16-9-11-12(8-14)17-13(15-11)7-10-5-3-2-4-6-10/h2-6H,7-9,14H2,1H3
InChIKeyBETQXXBYIOQYQG-UHFFFAOYSA-N
XLogP2.34
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361593
[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361600
(E)-3-[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82440093
[2-[(2-chlorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440553
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
[2-[(2,3-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440480
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
2-[2-[(4-chlorophenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82440119
1-[2-[(3,4-dimethylphenyl)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366014

Frequently Asked Questions

What is the IUPAC name of [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 82440089) is [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(Cc2ccccc2)sc1CN.
What is the InChIKey of [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BETQXXBYIOQYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-16-9-11-12(8-14)17-13(15-11)7-10-5-3-2-4-6-10/h2-6H,7-9,14H2,1H3.
What are the key properties of [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82440089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).