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

C14H20N2O2S — CID 115681438

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
SMILESCC(=O)c1csc(NC(=O)CC2CCCCCC2)n1
InChIInChI=1S/C14H20N2O2S/c1-10(17)12-9-19-14(15-12)16-13(18)8-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,15,16,18)
InChIKeyQRTDGVKBRZQQRW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.64
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide (PubChem CID 115681438) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
PubChem CID115681438
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
SMILESCC(=O)c1csc(NC(=O)CC2CCCCCC2)n1
InChIInChI=1S/C14H20N2O2S/c1-10(17)12-9-19-14(15-12)16-13(18)8-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,15,16,18)
InChIKeyQRTDGVKBRZQQRW-UHFFFAOYSA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046
2-cyclopentyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]acetamide
CID 77047021
N-(4-acetyl-1,3-thiazol-2-yl)-2-(azetidin-3-yl)acetamide
CID 64612276
N-(4-acetyl-1,3-thiazol-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79615397
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
CID 83136336
N-(4-acetyl-1,3-thiazol-2-yl)-3-piperidin-3-ylpropanamide
CID 64555532
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-cyclobutylacetamide
CID 103164434
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263
N-(4-acetyl-1,3-thiazol-2-yl)cyclohexanesulfonamide
CID 62999802
N-(4-acetyl-1,3-thiazol-2-yl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678293
N-(4-acetyl-1,3-thiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 64557705

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide (CID 115681438) is N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide is CC(=O)c1csc(NC(=O)CC2CCCCCC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
The InChIKey is QRTDGVKBRZQQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10(17)12-9-19-14(15-12)16-13(18)8-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide has a molecular weight of 280.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide is sourced from PubChem (CID 115681438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).