1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C13H16N2O2S — CID 62759037

IUPAC1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cncs2)cc1OC
InChIInChI=1S/C13H16N2O2S/c1-16-12-4-3-10(5-13(12)17-2)6-14-7-11-8-15-9-18-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyJCNNCSFBJUTNSY-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.45
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 62759037) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID62759037
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cncs2)cc1OC
InChIInChI=1S/C13H16N2O2S/c1-16-12-4-3-10(5-13(12)17-2)6-14-7-11-8-15-9-18-11/h3-5,8-9,14H,6-7H2,1-2H3
InChIKeyJCNNCSFBJUTNSY-UHFFFAOYSA-N
XLogP2.45
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640327
2,6-dimethoxy-4-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 115732274
1-(3-chloro-4,5-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732289
CID 11303039
CID 11303039
[4-methoxy-3-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640286
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
N-[[3-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-1-amine
CID 115978862
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]thiophene-2-carbonitrile
CID 115675335
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
1-(3,4-dimethoxyphenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273140
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 62759037) is 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is COc1ccc(CNCc2cncs2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is JCNNCSFBJUTNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-16-12-4-3-10(5-13(12)17-2)6-14-7-11-8-15-9-18-11/h3-5,8-9,14H,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 62759037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).