[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine

C13H16N2OS — CID 82383295

IUPAC[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCOc1c(C)cc(-c2nc(CN)cs2)cc1C
InChIInChI=1S/C13H16N2OS/c1-8-4-10(5-9(2)12(8)16-3)13-15-11(6-14)7-17-13/h4-5,7H,6,14H2,1-3H3
InChIKeyKOVJNWXDYPTLHD-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.89
Rot. Bonds3

About [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine

[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 82383295) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID82383295
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
SMILESCOc1c(C)cc(-c2nc(CN)cs2)cc1C
InChIInChI=1S/C13H16N2OS/c1-8-4-10(5-9(2)12(8)16-3)13-15-11(6-14)7-17-13/h4-5,7H,6,14H2,1-3H3
InChIKeyKOVJNWXDYPTLHD-UHFFFAOYSA-N
XLogP2.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868245
2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 22692340
[2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazol-4-yl]methanol
CID 116889050
4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
2-(3,5-dimethoxy-4-methylphenyl)-4-[[4-[[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 142201325
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868210
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]methanamine
CID 61282401

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine (CID 82383295) is [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine is COc1c(C)cc(-c2nc(CN)cs2)cc1C.
What is the InChIKey of [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is KOVJNWXDYPTLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-4-10(5-9(2)12(8)16-3)13-15-11(6-14)7-17-13/h4-5,7H,6,14H2,1-3H3.
What are the key properties of [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine?
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82383295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).