N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

C18H19N3OS — CID 46983576

IUPACN-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)Cc1nccs1
InChIInChI=1S/C18H19N3OS/c1-22-17-7-3-2-6-16(17)13-21(14-18-20-9-10-23-18)12-15-5-4-8-19-11-15/h2-11H,12-14H2,1H3
InChIKeyICMSSMSIHOFPGV-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.75
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 46983576) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID46983576
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCOc1ccccc1CN(Cc1cccnc1)Cc1nccs1
InChIInChI=1S/C18H19N3OS/c1-22-17-7-3-2-6-16(17)13-21(14-18-20-9-10-23-18)12-15-5-4-8-19-11-15/h2-11H,12-14H2,1H3
InChIKeyICMSSMSIHOFPGV-UHFFFAOYSA-N
XLogP3.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 46983576) is N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is COc1ccccc1CN(Cc1cccnc1)Cc1nccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is ICMSSMSIHOFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-22-17-7-3-2-6-16(17)13-21(14-18-20-9-10-23-18)12-15-5-4-8-19-11-15/h2-11H,12-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 325.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-pyridin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 46983576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).