N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H21N5OS — CID 155793651

IUPACN-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3nccc(C)n3)C2)s1
InChIInChI=1S/C16H21N5OS/c1-11-3-5-17-15(19-11)7-13-4-6-21(9-13)10-14-8-18-16(23-14)20-12(2)22/h3,5,8,13H,4,6-7,9-10H2,1-2H3,(H,18,20,22)
InChIKeyDHCHCLNEXXOHIR-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.26
Rot. Bonds5

About N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155793651) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155793651
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3nccc(C)n3)C2)s1
InChIInChI=1S/C16H21N5OS/c1-11-3-5-17-15(19-11)7-13-4-6-21(9-13)10-14-8-18-16(23-14)20-12(2)22/h3,5,8,13H,4,6-7,9-10H2,1-2H3,(H,18,20,22)
InChIKeyDHCHCLNEXXOHIR-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]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-[5-[[2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 162654867
N-[5-[[2-(2,6-dimethylpyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135301919
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
1-[Cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71990596
N-[5-[[4-[2-(4-methylpyrimidin-2-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377631
N-[5-[[4-[2-(6-methylpyrimidin-4-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377633
N-[5-[[4-[2-[4-(trifluoromethyl)pyrimidin-2-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377641
N-[5-[[4-[2-[6-(trifluoromethyl)pyrimidin-4-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377643
N-[5-[[4-[2-[4-(trifluoromethyl)pyrimidin-5-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377645
N-[5-[[4-(2-pyrazolo[1,5-a]pyrimidin-5-ylethynyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377657
N-[5-[[(5S)-2-(5-methylimidazo[1,2-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 155804590
N-[5-[[(4S)-3,3-difluoro-4-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491133

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 155793651) is N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3nccc(C)n3)C2)s1.
What is the InChIKey of N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is DHCHCLNEXXOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-11-3-5-17-15(19-11)7-13-4-6-21(9-13)10-14-8-18-16(23-14)20-12(2)22/h3,5,8,13H,4,6-7,9-10H2,1-2H3,(H,18,20,22).
What are the key properties of N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(4-methylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155793651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).