[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine

C15H18N2O2S — CID 82437353

IUPAC[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(-c2nc(C3CC3)c(CN)s2)c1OC
InChIInChI=1S/C15H18N2O2S/c1-18-11-5-3-4-10(14(11)19-2)15-17-13(9-6-7-9)12(8-16)20-15/h3-5,9H,6-8,16H2,1-2H3
InChIKeyMPJISHPZINJRGY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.16
Rot. Bonds5

About [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82437353) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82437353
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(-c2nc(C3CC3)c(CN)s2)c1OC
InChIInChI=1S/C15H18N2O2S/c1-18-11-5-3-4-10(14(11)19-2)15-17-13(9-6-7-9)12(8-16)20-15/h3-5,9H,6-8,16H2,1-2H3
InChIKeyMPJISHPZINJRGY-UHFFFAOYSA-N
XLogP3.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-cyclopropyl-2-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437246
2-[4-cyclopropyl-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437226
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
(4-cyclopropyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanamine
CID 82436375
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
[4-cyclopropyl-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114361920
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
1-[2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280126
2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine
CID 62219821
2-(2,3-dimethoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 39902669
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine (CID 82437353) is [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine is COc1cccc(-c2nc(C3CC3)c(CN)s2)c1OC.
What is the InChIKey of [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MPJISHPZINJRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-18-11-5-3-4-10(14(11)19-2)15-17-13(9-6-7-9)12(8-16)20-15/h3-5,9H,6-8,16H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82437353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).