N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

C13H7F11N2O2S — CID 664044

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)nc1C
InChIInChI=1S/C13H7F11N2O2S/c1-3-5(4(2)27)29-7(25-3)26-6(28)8(14)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-2H3,(H,25,26,28)
InChIKeyBCCGULYQRXWUKA-UHFFFAOYSA-N
MW464.26 g/mol
LogP4.49
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (PubChem CID 664044) has the molecular formula C13H7F11N2O2S and a molecular weight of 464.26 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
PubChem CID664044
Molecular FormulaC13H7F11N2O2S
Molecular Weight464.26 g/mol
Exact Mass464.01
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
SMILESCC(=O)c1sc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)nc1C
InChIInChI=1S/C13H7F11N2O2S/c1-3-5(4(2)27)29-7(25-3)26-6(28)8(14)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-2H3,(H,25,26,28)
InChIKeyBCCGULYQRXWUKA-UHFFFAOYSA-N
XLogP4.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)butanamide
CID 734076
N-(5-Acetyl-4-methyl-thiazol-2-yl)-2,2-dimethyl-propionamide
CID 733883
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 830648
N-(5-acetyl-4-methyl-2-thiazolyl)-2-methylpropanamide
CID 734580
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 4457143
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 4827577
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 790244
N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
CID 132386802
N-[7-oxo-6-(2,2,2-trifluoroacetyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]acetamide
CID 57741241
N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87682941
2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)imino]-6-(trifluoromethyl)-5H-pyrimidin-4-one
CID 136503815
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2,6-difluorocycloheptane-1-carboxamide
CID 143517993

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide (CID 664044) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is CC(=O)c1sc(NC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
The InChIKey is BCCGULYQRXWUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F11N2O2S/c1-3-5(4(2)27)29-7(25-3)26-6(28)8(14)9(15,16)11(19,20)13(23,24)12(21,22)10(8,17)18/h1-2H3,(H,25,26,28).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide has a molecular weight of 464.26 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide is sourced from PubChem (CID 664044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).