1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one

C15H17N3OS — CID 62760532

IUPAC1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2cncs2)cc1
InChIInChI=1S/C15H17N3OS/c19-15-2-1-7-18(15)13-5-3-12(4-6-13)8-16-9-14-10-17-11-20-14/h3-6,10-11,16H,1-2,7-9H2
InChIKeyRSORQOKPUNRGSU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.56
Rot. Bonds5

About 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one

1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one (PubChem CID 62760532) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
PubChem CID62760532
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CNCc2cncs2)cc1
InChIInChI=1S/C15H17N3OS/c19-15-2-1-7-18(15)13-5-3-12(4-6-13)8-16-9-14-10-17-11-20-14/h3-6,10-11,16H,1-2,7-9H2
InChIKeyRSORQOKPUNRGSU-UHFFFAOYSA-N
XLogP2.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(propylaminomethyl)phenyl]pyrrolidin-2-one
CID 28658925
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
CID 64990546
1-[4-[[(1-methylpyrrol-2-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 28878132
1-[4-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]phenyl]pyrrolidin-2-one
CID 30585345
1-[4-[(prop-2-ynylamino)methyl]phenyl]pyrrolidin-2-one
CID 60697157
1-[4-[[(2-bromophenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690069
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758662
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
5-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pyridine-2-carbonitrile
CID 133358833
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one (CID 62760532) is 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CNCc2cncs2)cc1.
What is the InChIKey of 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one?
The InChIKey is RSORQOKPUNRGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15-2-1-7-18(15)13-5-3-12(4-6-13)8-16-9-14-10-17-11-20-14/h3-6,10-11,16H,1-2,7-9H2.
What are the key properties of 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one?
1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one has a molecular weight of 287.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 62760532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).