3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C13H22N4O2S — CID 103365194

IUPAC3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)Oc1c(N)nsc1NCCC(=O)N1CCCC1
InChIInChI=1S/C13H22N4O2S/c1-9(2)19-11-12(14)16-20-13(11)15-6-5-10(18)17-7-3-4-8-17/h9,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyZMAXIFMOQRSPOJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.94
Rot. Bonds6

About 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103365194) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103365194
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)Oc1c(N)nsc1NCCC(=O)N1CCCC1
InChIInChI=1S/C13H22N4O2S/c1-9(2)19-11-12(14)16-20-13(11)15-6-5-10(18)17-7-3-4-8-17/h9,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyZMAXIFMOQRSPOJ-UHFFFAOYSA-N
XLogP1.94
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

3-amino-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384090
3-amino-5-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103384118
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
5-N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360050
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103365033
1-[4-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361512
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112696077
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 103359858
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 103365194) is 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(C)Oc1c(N)nsc1NCCC(=O)N1CCCC1.
What is the InChIKey of 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZMAXIFMOQRSPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9(2)19-11-12(14)16-20-13(11)15-6-5-10(18)17-7-3-4-8-17/h9,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 298.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103365194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).