1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea

C16H20N6O2S — CID 74245746

IUPAC1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea
SMILESCCCn1nc(C)c(CNC(=O)Nc2cnc3sccn3c2=O)c1C
InChIInChI=1S/C16H20N6O2S/c1-4-5-22-11(3)12(10(2)20-22)8-17-15(24)19-13-9-18-16-21(14(13)23)6-7-25-16/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,24)
InChIKeyQZQOMLPPBKOZEW-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.30
Rot. Bonds5

About 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea

1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea (PubChem CID 74245746) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea
PubChem CID74245746
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea
SMILESCCCn1nc(C)c(CNC(=O)Nc2cnc3sccn3c2=O)c1C
InChIInChI=1S/C16H20N6O2S/c1-4-5-22-11(3)12(10(2)20-22)8-17-15(24)19-13-9-18-16-21(14(13)23)6-7-25-16/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,24)
InChIKeyQZQOMLPPBKOZEW-UHFFFAOYSA-N
XLogP2.30
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea (CID 74245746) is 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea is CCCn1nc(C)c(CNC(=O)Nc2cnc3sccn3c2=O)c1C.
What is the InChIKey of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea?
The InChIKey is QZQOMLPPBKOZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-4-5-22-11(3)12(10(2)20-22)8-17-15(24)19-13-9-18-16-21(14(13)23)6-7-25-16/h6-7,9H,4-5,8H2,1-3H3,(H2,17,19,24).
What are the key properties of 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea?
1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea has a molecular weight of 360.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-3-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)urea is sourced from PubChem (CID 74245746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).