2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid

C11H13NO3S — CID 115043101

IUPAC2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2CC2)nc1C1CCOC1
InChIInChI=1S/C11H13NO3S/c13-11(14)9-8(7-3-4-15-5-7)12-10(16-9)6-1-2-6/h6-7H,1-5H2,(H,13,14)
InChIKeyMZTADRZWXYIROA-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.22
Rot. Bonds3

About 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid

2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115043101) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID115043101
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2CC2)nc1C1CCOC1
InChIInChI=1S/C11H13NO3S/c13-11(14)9-8(7-3-4-15-5-7)12-10(16-9)6-1-2-6/h6-7H,1-5H2,(H,13,14)
InChIKeyMZTADRZWXYIROA-UHFFFAOYSA-N
XLogP2.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360173
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273
1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanone
CID 130503595
4-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 154768430
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
2-chloro-4-cyclobutyl-1,3-thiazole-5-carboxylic acid
CID 105471885
2-tert-butyl-4-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115043050
2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
CID 104749846
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382908

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid (CID 115043101) is 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C2CC2)nc1C1CCOC1.
What is the InChIKey of 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is MZTADRZWXYIROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-11(14)9-8(7-3-4-15-5-7)12-10(16-9)6-1-2-6/h6-7H,1-5H2,(H,13,14).
What are the key properties of 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid?
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115043101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).