N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide

C22H29F3N2OS — CID 154638092

IUPACN-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H29F3N2OS/c1-2-3-4-5-6-7-8-9-10-11-20(28)26-19-16-29-21(27-19)17-12-14-18(15-13-17)22(23,24)25/h12-16H,2-11H2,1H3,(H,26,28)
InChIKeyHFHDMXSSEUNSAR-UHFFFAOYSA-N
MW426.55 g/mol
LogP7.69
Rot. Bonds12

About N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide

N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide (PubChem CID 154638092) has the molecular formula C22H29F3N2OS and a molecular weight of 426.55 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide
PubChem CID154638092
Molecular FormulaC22H29F3N2OS
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H29F3N2OS/c1-2-3-4-5-6-7-8-9-10-11-20(28)26-19-16-29-21(27-19)17-12-14-18(15-13-17)22(23,24)25/h12-16H,2-11H2,1H3,(H,26,28)
InChIKeyHFHDMXSSEUNSAR-UHFFFAOYSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.55
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-octyl-N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide
CID 175070160
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
7-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylamino]heptanoic acid
CID 99796613
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]heptanamide
CID 3116147
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide
CID 42694186
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide (CID 154638092) is N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide is CCCCCCCCCCCC(=O)Nc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide?
The InChIKey is HFHDMXSSEUNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2OS/c1-2-3-4-5-6-7-8-9-10-11-20(28)26-19-16-29-21(27-19)17-12-14-18(15-13-17)22(23,24)25/h12-16H,2-11H2,1H3,(H,26,28).
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide?
N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide has a molecular weight of 426.55 g/mol, XLogP of 7.69, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]dodecanamide is sourced from PubChem (CID 154638092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).