methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate

C10H13NO2S — CID 107925304

IUPACmethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C10H13NO2S/c1-10(2)4-6(10)8-11-7(5-14-8)9(12)13-3/h5-6H,4H2,1-3H3
InChIKeyBAMFKVNRMOOLGQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.44
Rot. Bonds2

About methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate

methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 107925304) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID107925304
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CC2(C)C)n1
InChIInChI=1S/C10H13NO2S/c1-10(2)4-6(10)8-11-7(5-14-8)9(12)13-3/h5-6H,4H2,1-3H3
InChIKeyBAMFKVNRMOOLGQ-UHFFFAOYSA-N
XLogP2.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
2-chloro-1-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanone
CID 107925301
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
methyl 2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazole-4-carboxylate
CID 115422679
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
methyl 2-[cyclopropyl(ethoxy)methyl]-1,3-thiazole-4-carboxylate
CID 116705184
2-(2,2-dimethylcyclopropyl)-4-(methoxymethyl)-1,3-thiazole
CID 107924795
methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 115422675
[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]methanol
CID 107924752
methyl 2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazole-4-carboxylate
CID 106600530
tert-butyl (4S,5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 162402707

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 107925304) is methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C2CC2(C)C)n1.
What is the InChIKey of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BAMFKVNRMOOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-10(2)4-6(10)8-11-7(5-14-8)9(12)13-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate?
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107925304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).