1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one

C10H15N3OS — CID 96603841

IUPAC1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C10H15N3OS/c1-2-7(14)8-9(11)12-10(15-8)13-5-3-4-6-13/h2-6,11H2,1H3
InChIKeyZJMLNUCLDCTQOT-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.92
Rot. Bonds3

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

1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 96603841) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
PubChem CID96603841
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(N2CCCC2)nc1N
InChIInChI=1S/C10H15N3OS/c1-2-7(14)8-9(11)12-10(15-8)13-5-3-4-6-13/h2-6,11H2,1H3
InChIKeyZJMLNUCLDCTQOT-UHFFFAOYSA-N
XLogP1.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 116674041
4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116671896
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
(4-amino-2-piperidin-1-yl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 116667420
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 116665909
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
4-amino-N-(2-ethoxy-2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 114944967
4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 116672458
4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664707

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one (CID 96603841) is 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1sc(N2CCCC2)nc1N.
What is the InChIKey of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is ZJMLNUCLDCTQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-7(14)8-9(11)12-10(15-8)13-5-3-4-6-13/h2-6,11H2,1H3.
What are the key properties of 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 225.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 96603841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).