(2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

C21H25N5OS2 — CID 134144463

IUPAC(2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CCCC4C)cn3)n2)s1
InChIInChI=1S/C21H25N5OS2/c1-12-6-5-7-13(2)26(12)20(27)16-8-9-18(22-10-16)25-21-24-17(11-28-21)19-14(3)23-15(4)29-19/h8-13H,5-7H2,1-4H3,(H,22,24,25)
InChIKeyUZFGAPNWQXVTKH-UHFFFAOYSA-N
MW427.60 g/mol
LogP5.43
Rot. Bonds4

About (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone

(2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (PubChem CID 134144463) has the molecular formula C21H25N5OS2 and a molecular weight of 427.60 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
PubChem CID134144463
Molecular FormulaC21H25N5OS2
Molecular Weight427.60 g/mol
Exact Mass427.15
IUPAC Name(2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CCCC4C)cn3)n2)s1
InChIInChI=1S/C21H25N5OS2/c1-12-6-5-7-13(2)26(12)20(27)16-8-9-18(22-10-16)25-21-24-17(11-28-21)19-14(3)23-15(4)29-19/h8-13H,5-7H2,1-4H3,(H,22,24,25)
InChIKeyUZFGAPNWQXVTKH-UHFFFAOYSA-N
XLogP5.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.60
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone (CID 134144463) is (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CCCC4C)cn3)n2)s1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
The InChIKey is UZFGAPNWQXVTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS2/c1-12-6-5-7-13(2)26(12)20(27)16-8-9-18(22-10-16)25-21-24-17(11-28-21)19-14(3)23-15(4)29-19/h8-13H,5-7H2,1-4H3,(H,22,24,25).
What are the key properties of (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone?
(2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone has a molecular weight of 427.60 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 134144463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).