N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

C15H23N3O2S — CID 72917365

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1ncsc1CCN(C)C(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H23N3O2S/c1-12-13(21-11-16-12)7-9-17(2)15(20)10-18-8-5-3-4-6-14(18)19/h11H,3-10H2,1-2H3
InChIKeyOPLOJTWCWCWMLV-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.86
Rot. Bonds5

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 72917365) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID72917365
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESCc1ncsc1CCN(C)C(=O)CN1CCCCCC1=O
InChIInChI=1S/C15H23N3O2S/c1-12-13(21-11-16-12)7-9-17(2)15(20)10-18-8-5-3-4-6-14(18)19/h11H,3-10H2,1-2H3
InChIKeyOPLOJTWCWCWMLV-UHFFFAOYSA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide (CID 72917365) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is Cc1ncsc1CCN(C)C(=O)CN1CCCCCC1=O.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is OPLOJTWCWCWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12-13(21-11-16-12)7-9-17(2)15(20)10-18-8-5-3-4-6-14(18)19/h11H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 72917365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).