2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide

C14H21N3O2S — CID 41227376

IUPAC2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide
SMILESCC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-10(18)15-14-17-12(9-20-14)8-13(19)16-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyBIWPSMABDNMZDY-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.48
Rot. Bonds4

About 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide

2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide (PubChem CID 41227376) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide
PubChem CID41227376
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide
SMILESCC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1
InChIInChI=1S/C14H21N3O2S/c1-10(18)15-14-17-12(9-20-14)8-13(19)16-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyBIWPSMABDNMZDY-UHFFFAOYSA-N
XLogP2.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide (CID 41227376) is 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide is CC(=O)Nc1nc(CC(=O)NC2CCCCCC2)cs1.
What is the InChIKey of 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide?
The InChIKey is BIWPSMABDNMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10(18)15-14-17-12(9-20-14)8-13(19)16-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide?
2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide has a molecular weight of 295.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-thiazol-4-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 41227376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).