[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate

C15H18N2O2S — CID 97259083

IUPAC[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)O[C@@H](C)Cc2cccnc2)s1
InChIInChI=1S/C15H18N2O2S/c1-3-5-14-17-10-13(20-14)15(18)19-11(2)8-12-6-4-7-16-9-12/h4,6-7,9-11H,3,5,8H2,1-2H3/t11-/m0/s1
InChIKeyFMGPXDSANPKXOF-NSHDSACASA-N
MW290.39 g/mol
LogP3.28
Rot. Bonds6

About [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate

[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate (PubChem CID 97259083) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate
PubChem CID97259083
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)O[C@@H](C)Cc2cccnc2)s1
InChIInChI=1S/C15H18N2O2S/c1-3-5-14-17-10-13(20-14)15(18)19-11(2)8-12-6-4-7-16-9-12/h4,6-7,9-11H,3,5,8H2,1-2H3/t11-/m0/s1
InChIKeyFMGPXDSANPKXOF-NSHDSACASA-N
XLogP3.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate (CID 97259083) is [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate is CCCc1ncc(C(=O)O[C@@H](C)Cc2cccnc2)s1.
What is the InChIKey of [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is FMGPXDSANPKXOF-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-5-14-17-10-13(20-14)15(18)19-11(2)8-12-6-4-7-16-9-12/h4,6-7,9-11H,3,5,8H2,1-2H3/t11-/m0/s1.
What are the key properties of [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate?
[(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 290.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pyridin-3-ylpropan-2-yl] 2-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 97259083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).