3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

C15H19N5O2S — CID 118794271

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESNc1nc(CCC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cs1
InChIInChI=1S/C15H19N5O2S/c16-15-17-10(8-23-15)5-6-12(21)20-7-1-2-11(20)14-18-13(19-22-14)9-3-4-9/h8-9,11H,1-7H2,(H2,16,17)/t11-/m0/s1
InChIKeyYDTQFZKCPHPZCO-NSHDSACASA-N
MW333.42 g/mol
LogP2.28
Rot. Bonds5

About 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 118794271) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID118794271
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
SMILESNc1nc(CCC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cs1
InChIInChI=1S/C15H19N5O2S/c16-15-17-10(8-23-15)5-6-12(21)20-7-1-2-11(20)14-18-13(19-22-14)9-3-4-9/h8-9,11H,1-7H2,(H2,16,17)/t11-/m0/s1
InChIKeyYDTQFZKCPHPZCO-NSHDSACASA-N
XLogP2.28
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 90564568
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 70782142
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 90564655
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71928900
benzyl (2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate
CID 66855550
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 90564564
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 96997075
1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
CID 96997076
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
1,3-benzothiazol-2-yl-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564620
3-(2-amino-1,3-thiazol-4-yl)-1-[(4R)-4-(dimethylamino)azepan-1-yl]propan-1-one
CID 95719680

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one (CID 118794271) is 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is Nc1nc(CCC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is YDTQFZKCPHPZCO-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O2S/c16-15-17-10(8-23-15)5-6-12(21)20-7-1-2-11(20)14-18-13(19-22-14)9-3-4-9/h8-9,11H,1-7H2,(H2,16,17)/t11-/m0/s1.
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one?
3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 333.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118794271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).