methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate

C10H12BrNO2S — CID 106510344

IUPACmethyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Br)sc1C1CCCC1
InChIInChI=1S/C10H12BrNO2S/c1-14-9(13)7-8(15-10(11)12-7)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyJVVYBKADEFFTPH-UHFFFAOYSA-N
MW290.18 g/mol
LogP3.35
Rot. Bonds2

About methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate

methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate (PubChem CID 106510344) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate
PubChem CID106510344
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Namemethyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(Br)sc1C1CCCC1
InChIInChI=1S/C10H12BrNO2S/c1-14-9(13)7-8(15-10(11)12-7)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyJVVYBKADEFFTPH-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-5-(oxan-4-yl)-1,3-thiazole-4-carboxylate
CID 106510295
methyl 2-bromo-5-(4-tert-butylcyclohexyl)-1,3-thiazole-4-carboxylate
CID 106510347
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-bromo-2-cyclopropyl-1,3-oxazole-4-carboxylate
CID 67453288
methyl 6-bromo-2-cyclohexyl-1,3-benzothiazole-5-carboxylate
CID 156794818
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
CID 84710146
methyl 5-amino-2-(cyclohexylmethyl)-1,3-thiazole-4-carboxylate
CID 103199691
methyl 5-acetyl-2-(cycloheptylamino)-1,3-thiazole-4-carboxylate
CID 106696946
methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 106510273
(2R)-1-[4-(2-bromo-5-cyclopropyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 124890731

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate (CID 106510344) is methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(Br)sc1C1CCCC1.
What is the InChIKey of methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate?
The InChIKey is JVVYBKADEFFTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-14-9(13)7-8(15-10(11)12-7)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate?
methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate has a molecular weight of 290.18 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-cyclopentyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106510344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).