N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

C16H19N5O2S — CID 110117382

IUPACN-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCCC1c1nc(C)ncc1CNC(=O)c1cncs1
InChIInChI=1S/C16H19N5O2S/c1-10-18-6-12(7-19-16(23)14-8-17-9-24-14)15(20-10)13-4-3-5-21(13)11(2)22/h6,8-9,13H,3-5,7H2,1-2H3,(H,19,23)
InChIKeyWADSMZDEHRUBRY-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.85
Rot. Bonds4

About N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide

N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 110117382) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID110117382
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)N1CCCC1c1nc(C)ncc1CNC(=O)c1cncs1
InChIInChI=1S/C16H19N5O2S/c1-10-18-6-12(7-19-16(23)14-8-17-9-24-14)15(20-10)13-4-3-5-21(13)11(2)22/h6,8-9,13H,3-5,7H2,1-2H3,(H,19,23)
InChIKeyWADSMZDEHRUBRY-UHFFFAOYSA-N
XLogP1.85
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110119109
1-[2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 175662611
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124947769
N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 110095709
N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124985573
N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
CID 124956996
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110116834
4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
CID 125018109
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 124976141
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125022456

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide (CID 110117382) is N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is CC(=O)N1CCCC1c1nc(C)ncc1CNC(=O)c1cncs1.
What is the InChIKey of N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WADSMZDEHRUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-18-6-12(7-19-16(23)14-8-17-9-24-14)15(20-10)13-4-3-5-21(13)11(2)22/h6,8-9,13H,3-5,7H2,1-2H3,(H,19,23).
What are the key properties of N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110117382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).