5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole

C8H5BrClN3OS — CID 130590473

IUPAC5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(-c2ncc(Br)c(Cl)n2)s1
InChIInChI=1S/C8H5BrClN3OS/c1-14-8-12-3-5(15-8)7-11-2-4(9)6(10)13-7/h2-3H,1H3
InChIKeyXOJKBCVJDKEHFT-UHFFFAOYSA-N
MW306.57 g/mol
LogP3.02
Rot. Bonds2

About 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole

5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole (PubChem CID 130590473) has the molecular formula C8H5BrClN3OS and a molecular weight of 306.57 g/mol. Its IUPAC name is 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
PubChem CID130590473
Molecular FormulaC8H5BrClN3OS
Molecular Weight306.57 g/mol
Exact Mass304.90
IUPAC Name5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(-c2ncc(Br)c(Cl)n2)s1
InChIInChI=1S/C8H5BrClN3OS/c1-14-8-12-3-5(15-8)7-11-2-4(9)6(10)13-7/h2-3H,1H3
InChIKeyXOJKBCVJDKEHFT-UHFFFAOYSA-N
XLogP3.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.57
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 103347910
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CID 58258261
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
5-bromo-4-chloro-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66314230
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
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5-bromo-4-chloro-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66291840
5-bromo-4-chloro-2-(methoxymethyl)pyrimidine
CID 66294698
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245
5-bromo-4-chloro-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrimidine
CID 164661947
5-bromo-4-chloro-2-(1-methylimidazol-4-yl)pyrimidine
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5-bromo-4-chloro-2-ethoxypyrimidine
CID 130053493
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CID 115385596

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole (CID 130590473) is 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole is COc1ncc(-c2ncc(Br)c(Cl)n2)s1.
What is the InChIKey of 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole?
The InChIKey is XOJKBCVJDKEHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClN3OS/c1-14-8-12-3-5(15-8)7-11-2-4(9)6(10)13-7/h2-3H,1H3.
What are the key properties of 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole?
5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole has a molecular weight of 306.57 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 130590473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).