4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide

C15H23N3O2S — CID 164636800

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide
SMILESCc1nc(CCCC(=O)N[C@H]2CCN(C(C)C)C2=O)cs1
InChIInChI=1S/C15H23N3O2S/c1-10(2)18-8-7-13(15(18)20)17-14(19)6-4-5-12-9-21-11(3)16-12/h9-10,13H,4-8H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyULAVBYWIVIYGFY-ZDUSSCGKSA-N
MW309.44 g/mol
LogP1.90
Rot. Bonds6

About 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide

4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide (PubChem CID 164636800) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide
PubChem CID164636800
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide
SMILESCc1nc(CCCC(=O)N[C@H]2CCN(C(C)C)C2=O)cs1
InChIInChI=1S/C15H23N3O2S/c1-10(2)18-8-7-13(15(18)20)17-14(19)6-4-5-12-9-21-11(3)16-12/h9-10,13H,4-8H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyULAVBYWIVIYGFY-ZDUSSCGKSA-N
XLogP1.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide (CID 164636800) is 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide is Cc1nc(CCCC(=O)N[C@H]2CCN(C(C)C)C2=O)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide?
The InChIKey is ULAVBYWIVIYGFY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10(2)18-8-7-13(15(18)20)17-14(19)6-4-5-12-9-21-11(3)16-12/h9-10,13H,4-8H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide?
4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide has a molecular weight of 309.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide is sourced from PubChem (CID 164636800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).