2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide

C15H18N4O2S — CID 136662011

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]cn3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-8-13(22-9(2)18-8)6-15(21)19-11-3-10(4-11)12-5-14(20)17-7-16-12/h5,7,10-11H,3-4,6H2,1-2H3,(H,19,21)(H,16,17,20)
InChIKeyNUDDREBHRMEJNN-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.45
Rot. Bonds4

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide (PubChem CID 136662011) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide
PubChem CID136662011
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]cn3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-8-13(22-9(2)18-8)6-15(21)19-11-3-10(4-11)12-5-14(20)17-7-16-12/h5,7,10-11H,3-4,6H2,1-2H3,(H,19,21)(H,16,17,20)
InChIKeyNUDDREBHRMEJNN-UHFFFAOYSA-N
XLogP1.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide (CID 136662011) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide is Cc1nc(C)c(CC(=O)NC2CC(c3cc(=O)[nH]cn3)C2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
The InChIKey is NUDDREBHRMEJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-8-13(22-9(2)18-8)6-15(21)19-11-3-10(4-11)12-5-14(20)17-7-16-12/h5,7,10-11H,3-4,6H2,1-2H3,(H,19,21)(H,16,17,20).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide has a molecular weight of 318.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(6-oxo-1H-pyrimidin-4-yl)cyclobutyl]acetamide is sourced from PubChem (CID 136662011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).