N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide

C15H25N5OS — CID 71925886

IUPACN-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
SMILESCCc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1
InChIInChI=1S/C15H25N5OS/c1-3-13-16-15(22-17-13)20-8-4-7-19(9-10-20)11-14(21)18(2)12-5-6-12/h12H,3-11H2,1-2H3
InChIKeyODQXMIBERAAXPP-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.23
Rot. Bonds5

About N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide

N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide (PubChem CID 71925886) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
PubChem CID71925886
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
SMILESCCc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1
InChIInChI=1S/C15H25N5OS/c1-3-13-16-15(22-17-13)20-8-4-7-19(9-10-20)11-14(21)18(2)12-5-6-12/h12H,3-11H2,1-2H3
InChIKeyODQXMIBERAAXPP-UHFFFAOYSA-N
XLogP1.23
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide (CID 71925886) is N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide is CCc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide?
The InChIKey is ODQXMIBERAAXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-3-13-16-15(22-17-13)20-8-4-7-19(9-10-20)11-14(21)18(2)12-5-6-12/h12H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide?
N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide has a molecular weight of 323.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide is sourced from PubChem (CID 71925886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).