(3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone

C19H24N4OS — CID 53145727

IUPAC(3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
SMILESCC1CCCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)C1
InChIInChI=1S/C19H24N4OS/c1-14-5-4-10-23(12-14)19(24)16-13-25-18(21-16)15-6-7-17(20-11-15)22-8-2-3-9-22/h6-7,11,13-14H,2-5,8-10,12H2,1H3
InChIKeyUVMWLNOBXRQKFD-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.68
Rot. Bonds3

About (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone

(3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 53145727) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
PubChem CID53145727
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name(3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
SMILESCC1CCCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)C1
InChIInChI=1S/C19H24N4OS/c1-14-5-4-10-23(12-14)19(24)16-13-25-18(21-16)15-6-7-17(20-11-15)22-8-2-3-9-22/h6-7,11,13-14H,2-5,8-10,12H2,1H3
InChIKeyUVMWLNOBXRQKFD-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 53145727) is (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is CC1CCCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is UVMWLNOBXRQKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-5-4-10-23(12-14)19(24)16-13-25-18(21-16)15-6-7-17(20-11-15)22-8-2-3-9-22/h6-7,11,13-14H,2-5,8-10,12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
(3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 356.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 53145727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).