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

C11H19N3OS — CID 10060265

IUPAC1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCC1N=C(N)SC1C(=O)CCN1CCCC1
InChIInChI=1S/C11H19N3OS/c1-8-10(16-11(12)13-8)9(15)4-7-14-5-2-3-6-14/h8,10H,2-7H2,1H3,(H2,12,13)
InChIKeyATXJHJJDOASXCQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.86
Rot. Bonds4

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

1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 10060265) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID10060265
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCC1N=C(N)SC1C(=O)CCN1CCCC1
InChIInChI=1S/C11H19N3OS/c1-8-10(16-11(12)13-8)9(15)4-7-14-5-2-3-6-14/h8,10H,2-7H2,1H3,(H2,12,13)
InChIKeyATXJHJJDOASXCQ-UHFFFAOYSA-N
XLogP0.86
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 10060265) is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one is CC1N=C(N)SC1C(=O)CCN1CCCC1.
What is the InChIKey of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ATXJHJJDOASXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-10(16-11(12)13-8)9(15)4-7-14-5-2-3-6-14/h8,10H,2-7H2,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 241.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 10060265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).