1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one

C19H19N5O2S2 — CID 134156774

IUPAC1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(=O)CC4)cn3)n2)s1
InChIInChI=1S/C19H19N5O2S2/c1-11-17(28-12(2)21-11)15-10-27-19(22-15)23-16-4-3-13(9-20-16)18(26)24-7-5-14(25)6-8-24/h3-4,9-10H,5-8H2,1-2H3,(H,20,22,23)
InChIKeyMYKVBUFMOIMWGR-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.83
Rot. Bonds4

About 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one

1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one (PubChem CID 134156774) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one
PubChem CID134156774
Molecular FormulaC19H19N5O2S2
Molecular Weight413.53 g/mol
Exact Mass413.10
IUPAC Name1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(=O)CC4)cn3)n2)s1
InChIInChI=1S/C19H19N5O2S2/c1-11-17(28-12(2)21-11)15-10-27-19(22-15)23-16-4-3-13(9-20-16)18(26)24-7-5-14(25)6-8-24/h3-4,9-10H,5-8H2,1-2H3,(H,20,22,23)
InChIKeyMYKVBUFMOIMWGR-UHFFFAOYSA-N
XLogP3.83
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one?
The IUPAC name of 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one (CID 134156774) is 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CCC(=O)CC4)cn3)n2)s1.
What is the InChIKey of 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one?
The InChIKey is MYKVBUFMOIMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-11-17(28-12(2)21-11)15-10-27-19(22-15)23-16-4-3-13(9-20-16)18(26)24-7-5-14(25)6-8-24/h3-4,9-10H,5-8H2,1-2H3,(H,20,22,23).
What are the key properties of 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one?
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one has a molecular weight of 413.53 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]piperidin-4-one is sourced from PubChem (CID 134156774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).