3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine

C18H19N5OS — CID 11681884

IUPAC3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C18H19N5OS/c1-24-15-6-5-14(18-19-8-11-25-18)21-17(15)22-16-7-4-13(12-20-16)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21,22)
InChIKeySHKPIODJZUHHHO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.95
Rot. Bonds5

About 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine

3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 11681884) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID11681884
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESCOc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2)cn1
InChIInChI=1S/C18H19N5OS/c1-24-15-6-5-14(18-19-8-11-25-18)21-17(15)22-16-7-4-13(12-20-16)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21,22)
InChIKeySHKPIODJZUHHHO-UHFFFAOYSA-N
XLogP3.95
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine (CID 11681884) is 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine is COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCCC2)cn1.
What is the InChIKey of 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is SHKPIODJZUHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-24-15-6-5-14(18-19-8-11-25-18)21-17(15)22-16-7-4-13(12-20-16)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21,22).
What are the key properties of 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine?
3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 353.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-pyrrolidin-1-yl-2-pyridinyl)-6-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 11681884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).