4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide

C15H24N4O2S — CID 119044445

IUPAC4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)NCC(C)c2ncc(C)s2)CC1=O
InChIInChI=1S/C15H24N4O2S/c1-4-18-6-5-7-19(10-13(18)20)15(21)17-8-11(2)14-16-9-12(3)22-14/h9,11H,4-8,10H2,1-3H3,(H,17,21)
InChIKeyPPIQHFOFAFWJOG-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.82
Rot. Bonds4

About 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide

4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide (PubChem CID 119044445) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide
PubChem CID119044445
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESCCN1CCCN(C(=O)NCC(C)c2ncc(C)s2)CC1=O
InChIInChI=1S/C15H24N4O2S/c1-4-18-6-5-7-19(10-13(18)20)15(21)17-8-11(2)14-16-9-12(3)22-14/h9,11H,4-8,10H2,1-3H3,(H,17,21)
InChIKeyPPIQHFOFAFWJOG-UHFFFAOYSA-N
XLogP1.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide (CID 119044445) is 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide is CCN1CCCN(C(=O)NCC(C)c2ncc(C)s2)CC1=O.
What is the InChIKey of 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is PPIQHFOFAFWJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-4-18-6-5-7-19(10-13(18)20)15(21)17-8-11(2)14-16-9-12(3)22-14/h9,11H,4-8,10H2,1-3H3,(H,17,21).
What are the key properties of 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide?
4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 119044445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).