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

C21H23N5O2S2 — CID 134134519

IUPAC1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CC(=O)CC4C)cn3)n2)s1
InChIInChI=1S/C21H23N5O2S2/c1-11-7-16(27)8-12(2)26(11)20(28)15-5-6-18(22-9-15)25-21-24-17(10-29-21)19-13(3)23-14(4)30-19/h5-6,9-12H,7-8H2,1-4H3,(H,22,24,25)
InChIKeyDPUZQHDPUMFPHB-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.60
Rot. Bonds4

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

1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one (PubChem CID 134134519) has the molecular formula C21H23N5O2S2 and a molecular weight of 441.58 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]-2,6-dimethylpiperidin-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]-2,6-dimethylpiperidin-4-one
PubChem CID134134519
Molecular FormulaC21H23N5O2S2
Molecular Weight441.58 g/mol
Exact Mass441.13
IUPAC Name1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CC(=O)CC4C)cn3)n2)s1
InChIInChI=1S/C21H23N5O2S2/c1-11-7-16(27)8-12(2)26(11)20(28)15-5-6-18(22-9-15)25-21-24-17(10-29-21)19-13(3)23-14(4)30-19/h5-6,9-12H,7-8H2,1-4H3,(H,22,24,25)
InChIKeyDPUZQHDPUMFPHB-UHFFFAOYSA-N
XLogP4.60
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-2,6-dimethylpiperidin-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]-2,6-dimethylpiperidin-4-one (CID 134134519) is 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-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]-2,6-dimethylpiperidin-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]-2,6-dimethylpiperidin-4-one is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C(C)CC(=O)CC4C)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]-2,6-dimethylpiperidin-4-one?
The InChIKey is DPUZQHDPUMFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S2/c1-11-7-16(27)8-12(2)26(11)20(28)15-5-6-18(22-9-15)25-21-24-17(10-29-21)19-13(3)23-14(4)30-19/h5-6,9-12H,7-8H2,1-4H3,(H,22,24,25).
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]-2,6-dimethylpiperidin-4-one?
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-2,6-dimethylpiperidin-4-one has a molecular weight of 441.58 g/mol, XLogP of 4.60, 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]-2,6-dimethylpiperidin-4-one is sourced from PubChem (CID 134134519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).