1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one

C12H21N3OS — CID 106252132

IUPAC1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
SMILESCC(C)CC1CN=C(NC2CCN(C)C2=O)S1
InChIInChI=1S/C12H21N3OS/c1-8(2)6-9-7-13-12(17-9)14-10-4-5-15(3)11(10)16/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVMRFPHCLRDVCSC-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one

1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 106252132) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID106252132
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
SMILESCC(C)CC1CN=C(NC2CCN(C)C2=O)S1
InChIInChI=1S/C12H21N3OS/c1-8(2)6-9-7-13-12(17-9)14-10-4-5-15(3)11(10)16/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyVMRFPHCLRDVCSC-UHFFFAOYSA-N
XLogP1.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one (CID 106252132) is 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one is CC(C)CC1CN=C(NC2CCN(C)C2=O)S1.
What is the InChIKey of 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is VMRFPHCLRDVCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8(2)6-9-7-13-12(17-9)14-10-4-5-15(3)11(10)16/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one?
1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106252132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).