2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide

C14H22N4O2S — CID 164630570

IUPAC2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cnc(N)s1
InChIInChI=1S/C14H22N4O2S/c1-14(2,3)18-8-9(5-11(18)19)7-17(4)12(20)10-6-16-13(15)21-10/h6,9H,5,7-8H2,1-4H3,(H2,15,16)/t9-/m1/s1
InChIKeyGGUUMBVNYLZUAA-SECBINFHSA-N
MW310.42 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 164630570) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID164630570
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cnc(N)s1
InChIInChI=1S/C14H22N4O2S/c1-14(2,3)18-8-9(5-11(18)19)7-17(4)12(20)10-6-16-13(15)21-10/h6,9H,5,7-8H2,1-4H3,(H2,15,16)/t9-/m1/s1
InChIKeyGGUUMBVNYLZUAA-SECBINFHSA-N
XLogP1.44
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
(2-Amino-1,3-thiazol-5-yl)-(2-azaspiro[4.4]nonan-2-yl)methanone
CID 124206525
5-{[4-(Cyclobutylmethyl)piperazin-1-yl]carbonyl}-1,3-thiazol-2-amine
CID 124211885
4-[(2-Amino-1,3-thiazol-5-yl)carbonyl]-1-butylpiperazin-2-one
CID 124215181
(2-amino-1,3-thiazol-5-yl)-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 125525751
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
CID 117089736
2-(ethylamino)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 71864067
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78859622
2-(ethylamino)-N-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525680
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120905204
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120905205
2-(ethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117080499

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 164630570) is 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GGUUMBVNYLZUAA-SECBINFHSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-14(2,3)18-8-9(5-11(18)19)7-17(4)12(20)10-6-16-13(15)21-10/h6,9H,5,7-8H2,1-4H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164630570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).