N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

C16H21N5OS — CID 124958167

IUPACN-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C16H21N5OS/c1-11(22)18-8-13-5-6-17-16(20-13)15-4-3-7-21(15)9-14-10-23-12(2)19-14/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyGEGPGEREOMCKJU-OAHLLOKOSA-N
MW331.45 g/mol
LogP2.21
Rot. Bonds5

About N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 124958167) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID124958167
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CCCN2Cc2csc(C)n2)n1
InChIInChI=1S/C16H21N5OS/c1-11(22)18-8-13-5-6-17-16(20-13)15-4-3-7-21(15)9-14-10-23-12(2)19-14/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyGEGPGEREOMCKJU-OAHLLOKOSA-N
XLogP2.21
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide 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

N-[[4-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124946273
N-[[2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124966489
N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124955181
N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125025430
N-[[2-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110095783
N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124946512
N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110117255
N-[[2-[(2R)-1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124995728
N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833
N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124953617
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[4-[(2S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124980798

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 124958167) is N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc([C@H]2CCCN2Cc2csc(C)n2)n1.
What is the InChIKey of N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is GEGPGEREOMCKJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11(22)18-8-13-5-6-17-16(20-13)15-4-3-7-21(15)9-14-10-23-12(2)19-14/h5-6,10,15H,3-4,7-9H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 124958167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).