4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

C15H25N5OS — CID 46984306

IUPAC4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C15H25N5OS/c1-12-16-14(22-18-12)17-15(21)20-9-5-8-19(10-11-20)13-6-3-2-4-7-13/h13H,2-11H2,1H3,(H,16,17,18,21)
InChIKeyWTSCQFMOXDKMBL-UHFFFAOYSA-N
MW323.47 g/mol
LogP2.72
Rot. Bonds2

About 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide (PubChem CID 46984306) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
PubChem CID46984306
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC Name4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCc1nsc(NC(=O)N2CCCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C15H25N5OS/c1-12-16-14(22-18-12)17-15(21)20-9-5-8-19(10-11-20)13-6-3-2-4-7-13/h13H,2-11H2,1H3,(H,16,17,18,21)
InChIKeyWTSCQFMOXDKMBL-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide (CID 46984306) is 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide is Cc1nsc(NC(=O)N2CCCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is WTSCQFMOXDKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-12-16-14(22-18-12)17-15(21)20-9-5-8-19(10-11-20)13-6-3-2-4-7-13/h13H,2-11H2,1H3,(H,16,17,18,21).
What are the key properties of 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 323.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 46984306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).