5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

C19H21N5OS — CID 122197569

IUPAC5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1
InChIInChI=1S/C19H21N5OS/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-23-18)17-11-24-19(26-17)14-3-7-22-8-4-14/h1-2,5-6,9-11,14,22H,3-4,7-8,12H2,(H2,20,23)
InChIKeyHSEGDFMLRPWOHH-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.23
Rot. Bonds5

About 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine

5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine (PubChem CID 122197569) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
PubChem CID122197569
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1
InChIInChI=1S/C19H21N5OS/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-23-18)17-11-24-19(26-17)14-3-7-22-8-4-14/h1-2,5-6,9-11,14,22H,3-4,7-8,12H2,(H2,20,23)
InChIKeyHSEGDFMLRPWOHH-UHFFFAOYSA-N
XLogP3.23
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine (CID 122197569) is 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine is Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1.
What is the InChIKey of 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is HSEGDFMLRPWOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c20-18-16(25-12-13-1-5-21-6-2-13)9-15(10-23-18)17-11-24-19(26-17)14-3-7-22-8-4-14/h1-2,5-6,9-11,14,22H,3-4,7-8,12H2,(H2,20,23).
What are the key properties of 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine?
5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 367.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-yl-1,3-thiazol-5-yl)-3-(pyridin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 122197569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).