methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate

C10H13NO2S — CID 115422925

IUPACmethyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2C)sc1C
InChIInChI=1S/C10H13NO2S/c1-5-4-7(5)9-11-8(6(2)14-9)10(12)13-3/h5,7H,4H2,1-3H3
InChIKeyPRZRXZYJJSHRDL-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.36
Rot. Bonds2

About methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 115422925) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID115422925
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2C)sc1C
InChIInChI=1S/C10H13NO2S/c1-5-4-7(5)9-11-8(6(2)14-9)10(12)13-3/h5,7H,4H2,1-3H3
InChIKeyPRZRXZYJJSHRDL-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 115424580
methyl 2-(2-methylcyclopropyl)-1,3-thiazole-5-carboxylate
CID 80572690
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
methyl 5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
CID 113307287
methyl 2-(1-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422024
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
methyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423873
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 103199626
methyl 5-methyl-2-(oxan-4-ylamino)-1,3-thiazole-4-carboxylate
CID 115423629
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
CID 103199638
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 115422925) is methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2CC2C)sc1C.
What is the InChIKey of methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is PRZRXZYJJSHRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-5-4-7(5)9-11-8(6(2)14-9)10(12)13-3/h5,7H,4H2,1-3H3.
What are the key properties of methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).