methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate

C10H12BrNO2S — CID 138673535

IUPACmethyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(Br)n2)CCCC1
InChIInChI=1S/C10H12BrNO2S/c1-14-8(13)10(4-2-3-5-10)7-6-15-9(11)12-7/h6H,2-5H2,1H3
InChIKeyMKYXRFUZIAKSSS-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.89
Rot. Bonds2

About methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate

methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate (PubChem CID 138673535) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
PubChem CID138673535
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Namemethyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2csc(Br)n2)CCCC1
InChIInChI=1S/C10H12BrNO2S/c1-14-8(13)10(4-2-3-5-10)7-6-15-9(11)12-7/h6H,2-5H2,1H3
InChIKeyMKYXRFUZIAKSSS-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116964001
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methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 1-(2-methylsulfonylpyrimidin-4-yl)cyclobutane-1-carboxylate
CID 155375764
methyl 1-(cyclopenten-1-yl)cyclopentane-1-carboxylate
CID 11819967
methyl 1-(4-propyl-1,3-thiazol-2-yl)cyclopropane-1-carboxylate
CID 116865720
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
methyl 8-(1,3-thiazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59030563
methyl 1-(3-bromo-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963863
methyl 1-(4-bromo-3-fluorophenyl)cyclobutane-1-carboxylate
CID 116989068
methyl 1-(5-dodecyl-1,2-oxazol-3-yl)cyclopentane-1-carboxylate
CID 10642484
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate (CID 138673535) is methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate is COC(=O)C1(c2csc(Br)n2)CCCC1.
What is the InChIKey of methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
The InChIKey is MKYXRFUZIAKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-8(13)10(4-2-3-5-10)7-6-15-9(11)12-7/h6H,2-5H2,1H3.
What are the key properties of methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate?
methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate has a molecular weight of 290.18 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 138673535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).