5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H16N4O3S — CID 110106852

IUPAC5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1cnc(C2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)s1
InChIInChI=1S/C14H16N4O3S/c1-8-5-15-12(22-8)9-3-2-4-18(7-9)13(20)10-6-16-14(21)17-11(10)19/h5-6,9H,2-4,7H2,1H3,(H2,16,17,19,21)
InChIKeyINEGUMRHXQDJAN-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.85
Rot. Bonds2

About 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 110106852) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID110106852
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCc1cnc(C2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)s1
InChIInChI=1S/C14H16N4O3S/c1-8-5-15-12(22-8)9-3-2-4-18(7-9)13(20)10-6-16-14(21)17-11(10)19/h5-6,9H,2-4,7H2,1H3,(H2,16,17,19,21)
InChIKeyINEGUMRHXQDJAN-UHFFFAOYSA-N
XLogP0.85
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867675
5-(5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 18756950
2-[[1-(Ethylcarbamoyl)piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 175939257
2-ethyl-N-[3-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 48577125
2-ethyl-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-5-carboxamide
CID 48593636
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48593730
1-Cyclohexyl-3-[1-(2-ethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]urea
CID 48595715
1,3-Dimethyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 61280807
5-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 61517593
1-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867683
4-[2-(dimethylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 75475877
1-[(1-Methylpiperidin-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521303

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 110106852) is 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is Cc1cnc(C2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)s1.
What is the InChIKey of 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is INEGUMRHXQDJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-5-15-12(22-8)9-3-2-4-18(7-9)13(20)10-6-16-14(21)17-11(10)19/h5-6,9H,2-4,7H2,1H3,(H2,16,17,19,21).
What are the key properties of 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 320.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110106852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).