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

C16H20N2O2S — CID 82437361

IUPAC1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1
InChIInChI=1S/C16H20N2O2S/c1-17-9-14-15(10-4-5-10)18-16(21-14)11-6-7-12(19-2)13(8-11)20-3/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyOSXUSJFJFDSYFU-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.42
Rot. Bonds6

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

1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82437361) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82437361
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1
InChIInChI=1S/C16H20N2O2S/c1-17-9-14-15(10-4-5-10)18-16(21-14)11-6-7-12(19-2)13(8-11)20-3/h6-8,10,17H,4-5,9H2,1-3H3
InChIKeyOSXUSJFJFDSYFU-UHFFFAOYSA-N
XLogP3.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82437361) is 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(OC)c(OC)c2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is OSXUSJFJFDSYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-17-9-14-15(10-4-5-10)18-16(21-14)11-6-7-12(19-2)13(8-11)20-3/h6-8,10,17H,4-5,9H2,1-3H3.
What are the key properties of 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 304.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82437361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).