2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole

C11H10BrCl2N3S — CID 107124723

IUPAC2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
SMILESCC(C)Cc1nc(-c2ncc(Cl)s2)nc(Cl)c1Br
InChIInChI=1S/C11H10BrCl2N3S/c1-5(2)3-6-8(12)9(14)17-10(16-6)11-15-4-7(13)18-11/h4-5H,3H2,1-2H3
InChIKeyCKQRHCKKISTSLU-UHFFFAOYSA-N
MW367.10 g/mol
LogP4.87
Rot. Bonds3

About 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole

2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole (PubChem CID 107124723) has the molecular formula C11H10BrCl2N3S and a molecular weight of 367.10 g/mol. Its IUPAC name is 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
PubChem CID107124723
Molecular FormulaC11H10BrCl2N3S
Molecular Weight367.10 g/mol
Exact Mass364.92
IUPAC Name2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
SMILESCC(C)Cc1nc(-c2ncc(Cl)s2)nc(Cl)c1Br
InChIInChI=1S/C11H10BrCl2N3S/c1-5(2)3-6-8(12)9(14)17-10(16-6)11-15-4-7(13)18-11/h4-5H,3H2,1-2H3
InChIKeyCKQRHCKKISTSLU-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.10
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 107125354
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrazol-3-yl)pyrimidine
CID 114554010
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 82809633
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389
5-bromo-4-chloro-2-(6-methoxy-2-pyridinyl)-6-(2-methylpropyl)pyrimidine
CID 103347915
5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124713
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 107125231
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 102842723
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 107125371

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole?
The IUPAC name of 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole (CID 107124723) is 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole.
What is the SMILES notation for 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole?
The canonical SMILES for 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole is CC(C)Cc1nc(-c2ncc(Cl)s2)nc(Cl)c1Br.
What is the InChIKey of 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole?
The InChIKey is CKQRHCKKISTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrCl2N3S/c1-5(2)3-6-8(12)9(14)17-10(16-6)11-15-4-7(13)18-11/h4-5H,3H2,1-2H3.
What are the key properties of 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole?
2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole has a molecular weight of 367.10 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole is sourced from PubChem (CID 107124723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).