(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

C14H23N5O2S — CID 97208382

IUPAC(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)NCCc2csc(N)n2)CC1=O
InChIInChI=1S/C14H23N5O2S/c1-18(2)5-6-19-8-10(7-12(19)20)13(21)16-4-3-11-9-22-14(15)17-11/h9-10H,3-8H2,1-2H3,(H2,15,17)(H,16,21)/t10-/m0/s1
InChIKeyRIMPMFQSUZSJRN-JTQLQIEISA-N
MW325.44 g/mol
LogP-0.21
Rot. Bonds7

About (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97208382) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97208382
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@@H](C(=O)NCCc2csc(N)n2)CC1=O
InChIInChI=1S/C14H23N5O2S/c1-18(2)5-6-19-8-10(7-12(19)20)13(21)16-4-3-11-9-22-14(15)17-11/h9-10H,3-8H2,1-2H3,(H2,15,17)(H,16,21)/t10-/m0/s1
InChIKeyRIMPMFQSUZSJRN-JTQLQIEISA-N
XLogP-0.21
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 96568281
1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131927188
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-cyclopentyl-6-oxopiperidine-3-carboxamide
CID 45231821
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97191799
N-(5-amino-2-methylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120568684
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97208382) is (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1C[C@@H](C(=O)NCCc2csc(N)n2)CC1=O.
What is the InChIKey of (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RIMPMFQSUZSJRN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-18(2)5-6-19-8-10(7-12(19)20)13(21)16-4-3-11-9-22-14(15)17-11/h9-10H,3-8H2,1-2H3,(H2,15,17)(H,16,21)/t10-/m0/s1.
What are the key properties of (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.44 g/mol, XLogP of -0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97208382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).