1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea

C15H25N5O2S — CID 46989504

IUPAC1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
SMILESCc1nsc(NC(=O)NC2(CN3CCOCC3)CCCCC2)n1
InChIInChI=1S/C15H25N5O2S/c1-12-16-14(23-19-12)17-13(21)18-15(5-3-2-4-6-15)11-20-7-9-22-10-8-20/h2-11H2,1H3,(H2,16,17,18,19,21)
InChIKeyCPNPDNVIRYMYGX-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.00
Rot. Bonds4

About 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea

1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea (PubChem CID 46989504) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
PubChem CID46989504
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea
SMILESCc1nsc(NC(=O)NC2(CN3CCOCC3)CCCCC2)n1
InChIInChI=1S/C15H25N5O2S/c1-12-16-14(23-19-12)17-13(21)18-15(5-3-2-4-6-15)11-20-7-9-22-10-8-20/h2-11H2,1H3,(H2,16,17,18,19,21)
InChIKeyCPNPDNVIRYMYGX-UHFFFAOYSA-N
XLogP2.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea (CID 46989504) is 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea is Cc1nsc(NC(=O)NC2(CN3CCOCC3)CCCCC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea?
The InChIKey is CPNPDNVIRYMYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-12-16-14(23-19-12)17-13(21)18-15(5-3-2-4-6-15)11-20-7-9-22-10-8-20/h2-11H2,1H3,(H2,16,17,18,19,21).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea?
1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea has a molecular weight of 339.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[1-(morpholin-4-ylmethyl)cyclohexyl]urea is sourced from PubChem (CID 46989504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).