5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

C15H20N4OS — CID 103365859

IUPAC5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCOC1CN(c2snc(N)c2-c2ccncc2)CCC1C
InChIInChI=1S/C15H20N4OS/c1-10-5-8-19(9-12(10)20-2)15-13(14(16)18-21-15)11-3-6-17-7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H2,16,18)
InChIKeyPTJPJCCMJNDZRA-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds3

About 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine

5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (PubChem CID 103365859) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
PubChem CID103365859
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
SMILESCOC1CN(c2snc(N)c2-c2ccncc2)CCC1C
InChIInChI=1S/C15H20N4OS/c1-10-5-8-19(9-12(10)20-2)15-13(14(16)18-21-15)11-3-6-17-7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H2,16,18)
InChIKeyPTJPJCCMJNDZRA-UHFFFAOYSA-N
XLogP2.65
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine (CID 103365859) is 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is COC1CN(c2snc(N)c2-c2ccncc2)CCC1C.
What is the InChIKey of 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
The InChIKey is PTJPJCCMJNDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-5-8-19(9-12(10)20-2)15-13(14(16)18-21-15)11-3-6-17-7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine?
5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine has a molecular weight of 304.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine is sourced from PubChem (CID 103365859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).