[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride

C17H22ClN3O2S — CID 119412347

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CC[C@@H](N)C3)cs2)cc1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-11(2)22-14-5-3-12(4-6-14)16-19-15(10-23-16)17(21)20-8-7-13(18)9-20;/h3-6,10-11,13H,7-9,18H2,1-2H3;1H/t13-;/m1./s1
InChIKeyUEPWXGBYOHMQOL-BTQNPOSSSA-N
MW367.90 g/mol
LogP3.19
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride (PubChem CID 119412347) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
PubChem CID119412347
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N3CC[C@@H](N)C3)cs2)cc1.Cl
InChIInChI=1S/C17H21N3O2S.ClH/c1-11(2)22-14-5-3-12(4-6-14)16-19-15(10-23-16)17(21)20-8-7-13(18)9-20;/h3-6,10-11,13H,7-9,18H2,1-2H3;1H/t13-;/m1./s1
InChIKeyUEPWXGBYOHMQOL-BTQNPOSSSA-N
XLogP3.19
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopyrrolidin-1-yl)-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone
CID 75513720
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 167991109
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
[(3R)-3-aminopyrrolidin-1-yl]-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412335
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119518780
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016
[4-(methylaminomethyl)piperidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119546701
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434177

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride (CID 119412347) is [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride is CC(C)Oc1ccc(-c2nc(C(=O)N3CC[C@@H](N)C3)cs2)cc1.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
The InChIKey is UEPWXGBYOHMQOL-BTQNPOSSSA-N. The full InChI is InChI=1S/C17H21N3O2S.ClH/c1-11(2)22-14-5-3-12(4-6-14)16-19-15(10-23-16)17(21)20-8-7-13(18)9-20;/h3-6,10-11,13H,7-9,18H2,1-2H3;1H/t13-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride has a molecular weight of 367.90 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119412347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).