(3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine

C12H19N3OS — CID 72877039

IUPAC[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCCC[C@H]1CN(C[C@@H]1N)C(=O)C2=C(N=CS2)C
InChIInChI=1S/C12H19N3OS/c1-3-4-9-5-15(6-10(9)13)12(16)11-8(2)14-7-17-11/h7,9-10H,3-6,13H2,1-2H3/t9-,10-/m0/s1
InChIKeyBTVJWMUIEZZINX-UWVGGRQHSA-N
MW253.37 g/mol
LogP1.70
Rot. Bonds3

About (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine

(3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine (PubChem CID 72877039) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine
PubChem CID72877039
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCCC[C@H]1CN(C[C@@H]1N)C(=O)C2=C(N=CS2)C
InChIInChI=1S/C12H19N3OS/c1-3-4-9-5-15(6-10(9)13)12(16)11-8(2)14-7-17-11/h7,9-10H,3-6,13H2,1-2H3/t9-,10-/m0/s1
InChIKeyBTVJWMUIEZZINX-UWVGGRQHSA-N
XLogP1.70
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity287

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine with MolForge

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Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71667381
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
Azepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823036
4-methyl-N-[3-(2-oxoazepan-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 45823337
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47076990
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
4-methyl-N-[2-(2-oxoazepan-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 47210198
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352

Frequently Asked Questions

What is the IUPAC name of (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine?
The IUPAC name of (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine (CID 72877039) is [(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine?
The canonical SMILES for (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine is CCC[C@H]1CN(C[C@@H]1N)C(=O)C2=C(N=CS2)C.
What is the InChIKey of (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine?
The InChIKey is BTVJWMUIEZZINX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-4-9-5-15(6-10(9)13)12(16)11-8(2)14-7-17-11/h7,9-10H,3-6,13H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine?
(3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine has a molecular weight of 253.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R*,4S*)-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]-4-propylpyrrolidin-3-amine is sourced from PubChem (CID 72877039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).