2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C10H16N4OS — CID 103365021

IUPAC2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1cc(N)ns1)C(=O)N1CCCC1
InChIInChI=1S/C10H16N4OS/c1-7(10(15)14-4-2-3-5-14)12-9-6-8(11)13-16-9/h6-7,12H,2-5H2,1H3,(H2,11,13)
InChIKeySXGCJJDJOORJCO-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.15
Rot. Bonds3

About 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103365021) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103365021
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Nc1cc(N)ns1)C(=O)N1CCCC1
InChIInChI=1S/C10H16N4OS/c1-7(10(15)14-4-2-3-5-14)12-9-6-8(11)13-16-9/h6-7,12H,2-5H2,1H3,(H2,11,13)
InChIKeySXGCJJDJOORJCO-UHFFFAOYSA-N
XLogP1.15
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
methyl 3-amino-5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103383916
2-(2-amino-5-bromoanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 113408314
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]cyclopent-2-en-1-one
CID 104788696
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113350190

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 103365021) is 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(Nc1cc(N)ns1)C(=O)N1CCCC1.
What is the InChIKey of 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SXGCJJDJOORJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(10(15)14-4-2-3-5-14)12-9-6-8(11)13-16-9/h6-7,12H,2-5H2,1H3,(H2,11,13).
What are the key properties of 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 240.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103365021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).