4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole

C12H13BrN4S — CID 125138191

IUPAC4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@H]2CCCN2c2ncc(Br)cn2)cs1
InChIInChI=1S/C12H13BrN4S/c1-8-16-10(7-18-8)11-3-2-4-17(11)12-14-5-9(13)6-15-12/h5-7,11H,2-4H2,1H3/t11-/m1/s1
InChIKeyUXSPRJDLZDFMQG-LLVKDONJSA-N
MW325.24 g/mol
LogP3.35
Rot. Bonds2

About 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole

4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 125138191) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
PubChem CID125138191
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc([C@H]2CCCN2c2ncc(Br)cn2)cs1
InChIInChI=1S/C12H13BrN4S/c1-8-16-10(7-18-8)11-3-2-4-17(11)12-14-5-9(13)6-15-12/h5-7,11H,2-4H2,1H3/t11-/m1/s1
InChIKeyUXSPRJDLZDFMQG-LLVKDONJSA-N
XLogP3.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-1-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole
CID 167992321
4-[6-[(2S)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]pyrimidin-4-yl]thiomorpholine
CID 100651914
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 75420221
6,7-dimethoxy-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]quinazolin-4-amine
CID 166225989
4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 95829363
2-methyl-4-[(2S)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole
CID 125138200
5-bromo-2-[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 129487383
2-methyl-1-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120848647
cis-(1S,3R)-2,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066037
5-[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 128992034
5-bromo-2-[2-(2-bromoethyl)pyrrolidin-1-yl]pyrimidine
CID 130534027
5-[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-2-nitrobenzonitrile
CID 125138190

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole (CID 125138191) is 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole is Cc1nc([C@H]2CCCN2c2ncc(Br)cn2)cs1.
What is the InChIKey of 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is UXSPRJDLZDFMQG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13BrN4S/c1-8-16-10(7-18-8)11-3-2-4-17(11)12-14-5-9(13)6-15-12/h5-7,11H,2-4H2,1H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole?
4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 325.24 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 125138191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).