(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C18H15Cl2N5OS — CID 16670558

IUPAC(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1nsc(Cl)c1Cl)N1CCCC(c2ncncc2-c2ccncc2)C1
InChIInChI=1S/C18H15Cl2N5OS/c19-14-16(24-27-17(14)20)18(26)25-7-1-2-12(9-25)15-13(8-22-10-23-15)11-3-5-21-6-4-11/h3-6,8,10,12H,1-2,7,9H2
InChIKeyYCKWRGPGRITOIC-UHFFFAOYSA-N
MW420.33 g/mol
LogP4.32
Rot. Bonds3

About (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 16670558) has the molecular formula C18H15Cl2N5OS and a molecular weight of 420.33 g/mol. Its IUPAC name is (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID16670558
Molecular FormulaC18H15Cl2N5OS
Molecular Weight420.33 g/mol
Exact Mass419.04
IUPAC Name(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1nsc(Cl)c1Cl)N1CCCC(c2ncncc2-c2ccncc2)C1
InChIInChI=1S/C18H15Cl2N5OS/c19-14-16(24-27-17(14)20)18(26)25-7-1-2-12(9-25)15-13(8-22-10-23-15)11-3-5-21-6-4-11/h3-6,8,10,12H,1-2,7,9H2
InChIKeyYCKWRGPGRITOIC-UHFFFAOYSA-N
XLogP4.32
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670177
1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 126468602
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
CID 126468341
[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670493
2-(2-methylbenzimidazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110213945
pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590860
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 42379025
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
1-[(3S)-3-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 51583946
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 16670558) is (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1nsc(Cl)c1Cl)N1CCCC(c2ncncc2-c2ccncc2)C1.
What is the InChIKey of (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is YCKWRGPGRITOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5OS/c19-14-16(24-27-17(14)20)18(26)25-7-1-2-12(9-25)15-13(8-22-10-23-15)11-3-5-21-6-4-11/h3-6,8,10,12H,1-2,7,9H2.
What are the key properties of (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 420.33 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1,2-thiazol-3-yl)-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).