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

C16H20N4OS — CID 164642776

IUPAC1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCc1csc(N)n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H20N4OS/c1-11(18-9-13-10-22-16(17)19-13)12-4-6-14(7-5-12)20-8-2-3-15(20)21/h4-7,10-11,18H,2-3,8-9H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyHCNXPOASSNHANO-NSHDSACASA-N
MW316.43 g/mol
LogP2.70
Rot. Bonds5

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

1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 164642776) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID164642776
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESC[C@H](NCc1csc(N)n1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H20N4OS/c1-11(18-9-13-10-22-16(17)19-13)12-4-6-14(7-5-12)20-8-2-3-15(20)21/h4-7,10-11,18H,2-3,8-9H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyHCNXPOASSNHANO-NSHDSACASA-N
XLogP2.70
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

H3B-120
CID 132355378
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
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N-(4-methyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
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[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
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4-(2,3-dihydroindol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
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(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
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1-[5-(2-Amino-thiazol-4-yl)-2-methyl-2,3-dihydro-indol-1-yl]-butan-1-one
CID 646828
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-propan-1-one
CID 649679
1-[5-(2-Amino-thiazol-4-yl)-2,3-dihydro-indol-1-yl]-2-methyl-butan-1-one
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2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 164642776) is 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is C[C@H](NCc1csc(N)n1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is HCNXPOASSNHANO-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(18-9-13-10-22-16(17)19-13)12-4-6-14(7-5-12)20-8-2-3-15(20)21/h4-7,10-11,18H,2-3,8-9H2,1H3,(H2,17,19)/t11-/m0/s1.
What are the key properties of 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-[(2-amino-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 164642776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).