2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide

C14H21N3O2S — CID 41227592

IUPAC2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)N2CCCC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-14(2,3)12(19)16-13-15-10(9-20-13)8-11(18)17-6-4-5-7-17/h9H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyUMIXVDPDUUFCNB-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.29
Rot. Bonds3

About 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 41227592) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID41227592
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1nc(CC(=O)N2CCCC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-14(2,3)12(19)16-13-15-10(9-20-13)8-11(18)17-6-4-5-7-17/h9H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyUMIXVDPDUUFCNB-UHFFFAOYSA-N
XLogP2.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide (CID 41227592) is 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide is CC(C)(C)C(=O)Nc1nc(CC(=O)N2CCCC2)cs1.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is UMIXVDPDUUFCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-14(2,3)12(19)16-13-15-10(9-20-13)8-11(18)17-6-4-5-7-17/h9H,4-8H2,1-3H3,(H,15,16,19).
What are the key properties of 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 295.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 41227592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).