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

C21H23N5O3S2 — CID 144814808

IUPAC1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-(hydroxymethyl)-5-methylpiperidin-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CC(C)C(=O)C(CO)C4)cn3)n2)s1
InChIInChI=1S/C21H23N5O3S2/c1-11-7-26(8-15(9-27)18(11)28)20(29)14-4-5-17(22-6-14)25-21-24-16(10-30-21)19-12(2)23-13(3)31-19/h4-6,10-11,15,27H,7-9H2,1-3H3,(H,22,24,25)
InChIKeyYNRJBZLBCLJERY-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.29
Rot. Bonds5

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

1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-(hydroxymethyl)-5-methylpiperidin-4-one (PubChem CID 144814808) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 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]-3-(hydroxymethyl)-5-methylpiperidin-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]-3-(hydroxymethyl)-5-methylpiperidin-4-one
PubChem CID144814808
Molecular FormulaC21H23N5O3S2
Molecular Weight457.58 g/mol
Exact Mass457.12
IUPAC Name1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-(hydroxymethyl)-5-methylpiperidin-4-one
SMILESCc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CC(C)C(=O)C(CO)C4)cn3)n2)s1
InChIInChI=1S/C21H23N5O3S2/c1-11-7-26(8-15(9-27)18(11)28)20(29)14-4-5-17(22-6-14)25-21-24-16(10-30-21)19-12(2)23-13(3)31-19/h4-6,10-11,15,27H,7-9H2,1-3H3,(H,22,24,25)
InChIKeyYNRJBZLBCLJERY-UHFFFAOYSA-N
XLogP3.29
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
(3,3-difluoropiperidin-1-yl)-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476780
9-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 134134782
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]ethanone
CID 144814251
[3-(2,4-difluorophenoxy)azetidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121477040
[(5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 144814731
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1S,5R)-3-methylidene-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 144814615
[(4Z,5R)-3,5-diethyl-4-methoxyimino-3-methylpiperidin-1-yl]-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 144814477
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-propyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 130236059
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(1R,5S)-3-(4-hydroxypiperidine-1-carbonyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
CID 144814489
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]methanone
CID 121476958
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]methanone
CID 144984235

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]-3-(hydroxymethyl)-5-methylpiperidin-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]-3-(hydroxymethyl)-5-methylpiperidin-4-one (CID 144814808) is 1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-(hydroxymethyl)-5-methylpiperidin-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]-3-(hydroxymethyl)-5-methylpiperidin-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]-3-(hydroxymethyl)-5-methylpiperidin-4-one is Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4CC(C)C(=O)C(CO)C4)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]-3-(hydroxymethyl)-5-methylpiperidin-4-one?
The InChIKey is YNRJBZLBCLJERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c1-11-7-26(8-15(9-27)18(11)28)20(29)14-4-5-17(22-6-14)25-21-24-16(10-30-21)19-12(2)23-13(3)31-19/h4-6,10-11,15,27H,7-9H2,1-3H3,(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]-3-(hydroxymethyl)-5-methylpiperidin-4-one?
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-(hydroxymethyl)-5-methylpiperidin-4-one has a molecular weight of 457.58 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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]-3-(hydroxymethyl)-5-methylpiperidin-4-one is sourced from PubChem (CID 144814808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).