N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide

C16H26N4O2S — CID 165423397

IUPACN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)CCc2csc(C)n2)N1C
InChIInChI=1S/C16H26N4O2S/c1-11-19-12(10-23-11)4-7-15(21)18-9-14-6-5-13(20(14)3)8-16(22)17-2/h10,13-14H,4-9H2,1-3H3,(H,17,22)(H,18,21)/t13-,14+/m1/s1
InChIKeyARURWZGIIMNLCV-KGLIPLIRSA-N
MW338.48 g/mol
LogP1.10
Rot. Bonds7

About N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide

N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 165423397) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID165423397
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNC(=O)CCc2csc(C)n2)N1C
InChIInChI=1S/C16H26N4O2S/c1-11-19-12(10-23-11)4-7-15(21)18-9-14-6-5-13(20(14)3)8-16(22)17-2/h10,13-14H,4-9H2,1-3H3,(H,17,22)(H,18,21)/t13-,14+/m1/s1
InChIKeyARURWZGIIMNLCV-KGLIPLIRSA-N
XLogP1.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-1-[(2S)-2-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 76314754
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
CID 70708028
1-(1-Tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 71924022
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S*,6R*)-4-oxo-3,9-diazabicyclo[4.2.1]non-3-yl]acetamide
CID 72870322
(2S)-1-acetyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 53519722
4-(2-methyl-1,3-thiazol-4-yl)-N-[(3S)-2-oxo-1-propan-2-ylpyrrolidin-3-yl]butanamide
CID 164636800
N-methyl-2-pyrrolidin-2-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813031
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
CID 119813878
4-(2-methyl-1,3-thiazol-4-yl)-N-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide
CID 132297991
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}propanamide
CID 45230497
(2R)-1-(2-ethylbutanoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]tetrahydro-1H-pyrrole-2-carboxamide
CID 50831565
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-isobutyl-5-oxopyrrolidine-3-carboxamide
CID 50976625

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 165423397) is N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide is CNC(=O)C[C@H]1CC[C@@H](CNC(=O)CCc2csc(C)n2)N1C.
What is the InChIKey of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is ARURWZGIIMNLCV-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11-19-12(10-23-11)4-7-15(21)18-9-14-6-5-13(20(14)3)8-16(22)17-2/h10,13-14H,4-9H2,1-3H3,(H,17,22)(H,18,21)/t13-,14+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 338.48 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 165423397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).