4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C17H18N4OS — CID 46943803

IUPAC4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(CC(N)c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)10-14(18)15-11-23-17(20-15)21-16-4-2-3-9-19-16/h2-9,11,14H,10,18H2,1H3,(H,19,20,21)
InChIKeyIPFLCOFWMBFIDC-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.53
Rot. Bonds6

About 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 46943803) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID46943803
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(CC(N)c2csc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)10-14(18)15-11-23-17(20-15)21-16-4-2-3-9-19-16/h2-9,11,14H,10,18H2,1H3,(H,19,20,21)
InChIKeyIPFLCOFWMBFIDC-UHFFFAOYSA-N
XLogP3.53
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 46943803) is 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is COc1ccc(CC(N)c2csc(Nc3ccccn3)n2)cc1.
What is the InChIKey of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is IPFLCOFWMBFIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-22-13-7-5-12(6-8-13)10-14(18)15-11-23-17(20-15)21-16-4-2-3-9-19-16/h2-9,11,14H,10,18H2,1H3,(H,19,20,21).
What are the key properties of 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 326.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-(4-methoxyphenyl)ethyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46943803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).