1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea

C13H15N5O3S — CID 126938653

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea
SMILESCc1cnc(NC(=O)NC2COCC2n2ncccc2=O)s1
InChIInChI=1S/C13H15N5O3S/c1-8-5-14-13(22-8)17-12(20)16-9-6-21-7-10(9)18-11(19)3-2-4-15-18/h2-5,9-10H,6-7H2,1H3,(H2,14,16,17,20)
InChIKeyRBGBUVYTMWUDMD-UHFFFAOYSA-N
MW321.36 g/mol
LogP0.77
Rot. Bonds3

About 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea

1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea (PubChem CID 126938653) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea
PubChem CID126938653
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea
SMILESCc1cnc(NC(=O)NC2COCC2n2ncccc2=O)s1
InChIInChI=1S/C13H15N5O3S/c1-8-5-14-13(22-8)17-12(20)16-9-6-21-7-10(9)18-11(19)3-2-4-15-18/h2-5,9-10H,6-7H2,1H3,(H2,14,16,17,20)
InChIKeyRBGBUVYTMWUDMD-UHFFFAOYSA-N
XLogP0.77
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea (CID 126938653) is 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea is Cc1cnc(NC(=O)NC2COCC2n2ncccc2=O)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea?
The InChIKey is RBGBUVYTMWUDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-8-5-14-13(22-8)17-12(20)16-9-6-21-7-10(9)18-11(19)3-2-4-15-18/h2-5,9-10H,6-7H2,1H3,(H2,14,16,17,20).
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea?
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea has a molecular weight of 321.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)oxolan-3-yl]urea is sourced from PubChem (CID 126938653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).