N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine

C18H19N3OS — CID 133312372

IUPACN-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine
SMILESCOc1ccc(-c2nc(C)c(C(C)Nc3ccccn3)s2)cc1
InChIInChI=1S/C18H19N3OS/c1-12(20-16-6-4-5-11-19-16)17-13(2)21-18(23-17)14-7-9-15(22-3)10-8-14/h4-12H,1-3H3,(H,19,20)
InChIKeyDBJVDIGOJPYJPB-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.70
Rot. Bonds5

About N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine

N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine (PubChem CID 133312372) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine
PubChem CID133312372
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine
SMILESCOc1ccc(-c2nc(C)c(C(C)Nc3ccccn3)s2)cc1
InChIInChI=1S/C18H19N3OS/c1-12(20-16-6-4-5-11-19-16)17-13(2)21-18(23-17)14-7-9-15(22-3)10-8-14/h4-12H,1-3H3,(H,19,20)
InChIKeyDBJVDIGOJPYJPB-UHFFFAOYSA-N
XLogP4.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine (CID 133312372) is N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine is COc1ccc(-c2nc(C)c(C(C)Nc3ccccn3)s2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine?
The InChIKey is DBJVDIGOJPYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12(20-16-6-4-5-11-19-16)17-13(2)21-18(23-17)14-7-9-15(22-3)10-8-14/h4-12H,1-3H3,(H,19,20).
What are the key properties of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine?
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine has a molecular weight of 325.44 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine is sourced from PubChem (CID 133312372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).