2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C10H14N2O2S — CID 104840711

IUPAC2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C2(N)CCC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-2-6-7(8(13)14)15-9(12-6)10(11)4-3-5-10/h2-5,11H2,1H3,(H,13,14)
InChIKeyCWDKTTVRBVLDMV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.74
Rot. Bonds3

About 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 104840711) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID104840711
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(C2(N)CCC2)sc1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-2-6-7(8(13)14)15-9(12-6)10(11)4-3-5-10/h2-5,11H2,1H3,(H,13,14)
InChIKeyCWDKTTVRBVLDMV-UHFFFAOYSA-N
XLogP1.74
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 104840711) is 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(C2(N)CCC2)sc1C(=O)O.
What is the InChIKey of 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is CWDKTTVRBVLDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-6-7(8(13)14)15-9(12-6)10(11)4-3-5-10/h2-5,11H2,1H3,(H,13,14).
What are the key properties of 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104840711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).