[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C16H21N3O2S — CID 72938706

IUPAC[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2C[C@H](c3ccc(C)o3)[C@@H](N)C2)cs1
InChIInChI=1S/C16H21N3O2S/c1-3-4-15-18-13(9-22-15)16(20)19-7-11(12(17)8-19)14-6-5-10(2)21-14/h5-6,9,11-12H,3-4,7-8,17H2,1-2H3/t11-,12-/m0/s1
InChIKeyHQZSOIMXSXDBRI-RYUDHWBXSA-N
MW319.43 g/mol
LogP2.56
Rot. Bonds4

About [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 72938706) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID72938706
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2C[C@H](c3ccc(C)o3)[C@@H](N)C2)cs1
InChIInChI=1S/C16H21N3O2S/c1-3-4-15-18-13(9-22-15)16(20)19-7-11(12(17)8-19)14-6-5-10(2)21-14/h5-6,9,11-12H,3-4,7-8,17H2,1-2H3/t11-,12-/m0/s1
InChIKeyHQZSOIMXSXDBRI-RYUDHWBXSA-N
XLogP2.56
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 72938706) is [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2C[C@H](c3ccc(C)o3)[C@@H](N)C2)cs1.
What is the InChIKey of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is HQZSOIMXSXDBRI-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-4-15-18-13(9-22-15)16(20)19-7-11(12(17)8-19)14-6-5-10(2)21-14/h5-6,9,11-12H,3-4,7-8,17H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 319.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72938706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).