N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

C15H20N2O3S — CID 103700761

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1ncc(C)s1
InChIInChI=1S/C15H20N2O3S/c1-10-7-17-15(21-10)9-16-8-11-5-13(19-3)14(20-4)6-12(11)18-2/h5-7,16H,8-9H2,1-4H3
InChIKeyJYRLLGANWMBTJB-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.77
Rot. Bonds7

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 103700761) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID103700761
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1ncc(C)s1
InChIInChI=1S/C15H20N2O3S/c1-10-7-17-15(21-10)9-16-8-11-5-13(19-3)14(20-4)6-12(11)18-2/h5-7,16H,8-9H2,1-4H3
InChIKeyJYRLLGANWMBTJB-UHFFFAOYSA-N
XLogP2.77
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine (CID 103700761) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(OC)cc1CNCc1ncc(C)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is JYRLLGANWMBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-7-17-15(21-10)9-16-8-11-5-13(19-3)14(20-4)6-12(11)18-2/h5-7,16H,8-9H2,1-4H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 308.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 103700761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).