1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

C20H25N5O2S2 — CID 110220598

IUPAC1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1
InChIInChI=1S/C20H25N5O2S2/c1-12-18(16-4-7-21-13(2)23-16)29-19(22-12)15-5-8-24(9-6-15)20(27)17-10-28-11-25(17)14(3)26/h4,7,15,17H,5-6,8-11H2,1-3H3
InChIKeyVOZSOWVLVWKDKZ-UHFFFAOYSA-N
MW431.59 g/mol
LogP2.84
Rot. Bonds3

About 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone

1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (PubChem CID 110220598) has the molecular formula C20H25N5O2S2 and a molecular weight of 431.59 g/mol. Its IUPAC name is 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
PubChem CID110220598
Molecular FormulaC20H25N5O2S2
Molecular Weight431.59 g/mol
Exact Mass431.14
IUPAC Name1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1
InChIInChI=1S/C20H25N5O2S2/c1-12-18(16-4-7-21-13(2)23-16)29-19(22-12)15-5-8-24(9-6-15)20(27)17-10-28-11-25(17)14(3)26/h4,7,15,17H,5-6,8-11H2,1-3H3
InChIKeyVOZSOWVLVWKDKZ-UHFFFAOYSA-N
XLogP2.84
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone (CID 110220598) is 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSCC1C(=O)N1CCC(c2nc(C)c(-c3ccnc(C)n3)s2)CC1.
What is the InChIKey of 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is VOZSOWVLVWKDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S2/c1-12-18(16-4-7-21-13(2)23-16)29-19(22-12)15-5-8-24(9-6-15)20(27)17-10-28-11-25(17)14(3)26/h4,7,15,17H,5-6,8-11H2,1-3H3.
What are the key properties of 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone?
1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 431.59 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[4-methyl-5-(2-methylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 110220598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).