2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide

C17H23N5O2S — CID 90621837

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCc1ncn(CC(=O)NCC2CCCN(c3nccs3)C2)c(=O)c1C
InChIInChI=1S/C17H23N5O2S/c1-12-13(2)20-11-22(16(12)24)10-15(23)19-8-14-4-3-6-21(9-14)17-18-5-7-25-17/h5,7,11,14H,3-4,6,8-10H2,1-2H3,(H,19,23)
InChIKeySHSJLHOHVUFIHE-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.35
Rot. Bonds5

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 90621837) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
PubChem CID90621837
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
SMILESCc1ncn(CC(=O)NCC2CCCN(c3nccs3)C2)c(=O)c1C
InChIInChI=1S/C17H23N5O2S/c1-12-13(2)20-11-22(16(12)24)10-15(23)19-8-14-4-3-6-21(9-14)17-18-5-7-25-17/h5,7,11,14H,3-4,6,8-10H2,1-2H3,(H,19,23)
InChIKeySHSJLHOHVUFIHE-UHFFFAOYSA-N
XLogP1.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621661
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
1-(3,5-dimethoxyphenyl)-3-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]urea
CID 90621871
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
CID 99875760
3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875791
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 66307930
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide (CID 90621837) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is Cc1ncn(CC(=O)NCC2CCCN(c3nccs3)C2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is SHSJLHOHVUFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-13(2)20-11-22(16(12)24)10-15(23)19-8-14-4-3-6-21(9-14)17-18-5-7-25-17/h5,7,11,14H,3-4,6,8-10H2,1-2H3,(H,19,23).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 90621837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).