4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

C14H15N3OS — CID 168699991

IUPAC4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CC(N)CC3=O)c2)cs1
InChIInChI=1S/C14H15N3OS/c1-9-16-13(8-19-9)10-3-2-4-12(5-10)17-7-11(15)6-14(17)18/h2-5,8,11H,6-7,15H2,1H3
InChIKeySEBJXACOURIWPC-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.18
Rot. Bonds2

About 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one

4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 168699991) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID168699991
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
SMILESCc1nc(-c2cccc(N3CC(N)CC3=O)c2)cs1
InChIInChI=1S/C14H15N3OS/c1-9-16-13(8-19-9)10-3-2-4-12(5-10)17-7-11(15)6-14(17)18/h2-5,8,11H,6-7,15H2,1H3
InChIKeySEBJXACOURIWPC-UHFFFAOYSA-N
XLogP2.18
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
1-(4-methoxyphenyl)-4-[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 53126969
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
4-[2-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]-1-(3-hydroxyphenyl)pyrrolidin-2-one
CID 72900308
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119486276
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168699354

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one (CID 168699991) is 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is Cc1nc(-c2cccc(N3CC(N)CC3=O)c2)cs1.
What is the InChIKey of 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is SEBJXACOURIWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-16-13(8-19-9)10-3-2-4-12(5-10)17-7-11(15)6-14(17)18/h2-5,8,11H,6-7,15H2,1H3.
What are the key properties of 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one?
4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168699991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).