5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one

C15H23N3O2S — CID 110201372

IUPAC5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1nc(C)c(C(=O)N2CCCCCCNC(=O)CC2)s1
InChIInChI=1S/C15H23N3O2S/c1-11-14(21-12(2)17-11)15(20)18-9-6-4-3-5-8-16-13(19)7-10-18/h3-10H2,1-2H3,(H,16,19)
InChIKeyLZTAWDWOINHXLY-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.28
Rot. Bonds1

About 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one

5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201372) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201372
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCc1nc(C)c(C(=O)N2CCCCCCNC(=O)CC2)s1
InChIInChI=1S/C15H23N3O2S/c1-11-14(21-12(2)17-11)15(20)18-9-6-4-3-5-8-16-13(19)7-10-18/h3-10H2,1-2H3,(H,16,19)
InChIKeyLZTAWDWOINHXLY-UHFFFAOYSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201372) is 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one is Cc1nc(C)c(C(=O)N2CCCCCCNC(=O)CC2)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is LZTAWDWOINHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11-14(21-12(2)17-11)15(20)18-9-6-4-3-5-8-16-13(19)7-10-18/h3-10H2,1-2H3,(H,16,19).
What are the key properties of 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one?
5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 309.44 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).