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

C10H14N2O2S — CID 114358418

IUPAC2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCCC(N)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C10H14N2O2S/c1-2-6(11)9-12-7(5-3-4-5)8(15-9)10(13)14/h5-6H,2-4,11H2,1H3,(H,13,14)
InChIKeyDKFUBMFAETZDRU-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.13
Rot. Bonds4

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

2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358418) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID114358418
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESCCC(N)c1nc(C2CC2)c(C(=O)O)s1
InChIInChI=1S/C10H14N2O2S/c1-2-6(11)9-12-7(5-3-4-5)8(15-9)10(13)14/h5-6H,2-4,11H2,1H3,(H,13,14)
InChIKeyDKFUBMFAETZDRU-UHFFFAOYSA-N
XLogP2.13
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-amino-2,2-dimethylpropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358547
4-cyclohexyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226726
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63915648
2-[butyl(ethyl)amino]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 63918554
2-[amino(cyclopropyl)methyl]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114358453
4-cyclopropyl-2-(5-ethylfuran-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360827
4-(4-butylcyclohexyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 94970667
2-(1-aminobutyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114358432
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 114358418) is 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is CCC(N)c1nc(C2CC2)c(C(=O)O)s1.
What is the InChIKey of 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DKFUBMFAETZDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-6(11)9-12-7(5-3-4-5)8(15-9)10(13)14/h5-6H,2-4,11H2,1H3,(H,13,14).
What are the key properties of 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).