N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C18H23N5O3S — CID 137214476

IUPACN-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C)c(CC(=O)N2CCCC(CNC(=O)c3cscn3)C2)c(=O)[nH]1
InChIInChI=1S/C18H23N5O3S/c1-11-14(17(25)22-12(2)21-11)6-16(24)23-5-3-4-13(8-23)7-19-18(26)15-9-27-10-20-15/h9-10,13H,3-8H2,1-2H3,(H,19,26)(H,21,22,25)
InChIKeyMYQVZPLPSOOHPQ-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.05
Rot. Bonds5

About N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 137214476) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID137214476
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C)c(CC(=O)N2CCCC(CNC(=O)c3cscn3)C2)c(=O)[nH]1
InChIInChI=1S/C18H23N5O3S/c1-11-14(17(25)22-12(2)21-11)6-16(24)23-5-3-4-13(8-23)7-19-18(26)15-9-27-10-20-15/h9-10,13H,3-8H2,1-2H3,(H,19,26)(H,21,22,25)
InChIKeyMYQVZPLPSOOHPQ-UHFFFAOYSA-N
XLogP1.05
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
4-[(3S)-1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]benzoic acid
CID 136804322
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
5-[2-[(3R)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757579
5-[2-[(3S)-3-benzoylpiperidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136757578
3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 42216109
2,4-dimethyl-5-[2-oxo-2-[(3S)-3-propoxypiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136670243
5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136911228
(1R,5S)-6-(cyclobutylmethyl)-3-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 137247626
2,4-dimethyl-5-[2-oxo-2-[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136693380
N-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 75462370

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 137214476) is N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C)c(CC(=O)N2CCCC(CNC(=O)c3cscn3)C2)c(=O)[nH]1.
What is the InChIKey of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MYQVZPLPSOOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-11-14(17(25)22-12(2)21-11)6-16(24)23-5-3-4-13(8-23)7-19-18(26)15-9-27-10-20-15/h9-10,13H,3-8H2,1-2H3,(H,19,26)(H,21,22,25).
What are the key properties of N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137214476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).