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

C15H19N5O2S — CID 126934316

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea
SMILESCc1cnc(NC(=O)NC2CCC(n3ncccc3=O)CC2)s1
InChIInChI=1S/C15H19N5O2S/c1-10-9-16-15(23-10)19-14(22)18-11-4-6-12(7-5-11)20-13(21)3-2-8-17-20/h2-3,8-9,11-12H,4-7H2,1H3,(H2,16,18,19,22)
InChIKeyPZPMEWSORHNURJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.31
Rot. Bonds3

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

1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea (PubChem CID 126934316) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea
PubChem CID126934316
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea
SMILESCc1cnc(NC(=O)NC2CCC(n3ncccc3=O)CC2)s1
InChIInChI=1S/C15H19N5O2S/c1-10-9-16-15(23-10)19-14(22)18-11-4-6-12(7-5-11)20-13(21)3-2-8-17-20/h2-3,8-9,11-12H,4-7H2,1H3,(H2,16,18,19,22)
InChIKeyPZPMEWSORHNURJ-UHFFFAOYSA-N
XLogP2.31
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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)cyclohexyl]urea?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea (CID 126934316) is 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea is Cc1cnc(NC(=O)NC2CCC(n3ncccc3=O)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea?
The InChIKey is PZPMEWSORHNURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-9-16-15(23-10)19-14(22)18-11-4-6-12(7-5-11)20-13(21)3-2-8-17-20/h2-3,8-9,11-12H,4-7H2,1H3,(H2,16,18,19,22).
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea?
1-(5-methyl-1,3-thiazol-2-yl)-3-[4-(6-oxopyridazin-1-yl)cyclohexyl]urea has a molecular weight of 333.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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)cyclohexyl]urea is sourced from PubChem (CID 126934316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).