methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate

C9H11NO2S — CID 80572690

IUPACmethyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2C)s1
InChIInChI=1S/C9H11NO2S/c1-5-3-6(5)8-10-4-7(13-8)9(11)12-2/h4-6H,3H2,1-2H3
InChIKeyDNZMZCQMMMQGIN-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.05
Rot. Bonds2

About methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate

methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate (PubChem CID 80572690) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate
PubChem CID80572690
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CC2C)s1
InChIInChI=1S/C9H11NO2S/c1-5-3-6(5)8-10-4-7(13-8)9(11)12-2/h4-6H,3H2,1-2H3
InChIKeyDNZMZCQMMMQGIN-UHFFFAOYSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate (CID 80572690) is methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CC2C)s1.
What is the InChIKey of methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate?
The InChIKey is DNZMZCQMMMQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-5-3-6(5)8-10-4-7(13-8)9(11)12-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate?
methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).