2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C15H11BrN4O2S — CID 58349291

IUPAC2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br
InChIInChI=1S/C15H11BrN4O2S/c1-9-15(16)23-14(20-9)5-13(21)12-4-10(2-3-19-12)22-11-6-17-8-18-7-11/h2-4,6-8H,5H2,1H3
InChIKeyBNIHHDVZESFVBQ-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.62
Rot. Bonds5

About 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349291) has the molecular formula C15H11BrN4O2S and a molecular weight of 391.25 g/mol. Its IUPAC name is 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349291
Molecular FormulaC15H11BrN4O2S
Molecular Weight391.25 g/mol
Exact Mass389.98
IUPAC Name2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br
InChIInChI=1S/C15H11BrN4O2S/c1-9-15(16)23-14(20-9)5-13(21)12-4-10(2-3-19-12)22-11-6-17-8-18-7-11/h2-4,6-8H,5H2,1H3
InChIKeyBNIHHDVZESFVBQ-UHFFFAOYSA-N
XLogP3.62
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318789
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349295
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349254
4-[[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]-3-pyridinyl]oxy]-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 123233191
2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
CID 162027843
4-(4-bromophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 43395714
2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349315

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349291) is 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br.
What is the InChIKey of 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is BNIHHDVZESFVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2S/c1-9-15(16)23-14(20-9)5-13(21)12-4-10(2-3-19-12)22-11-6-17-8-18-7-11/h2-4,6-8H,5H2,1H3.
What are the key properties of 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 391.25 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).