N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C15H17F3N2OS — CID 123430112

IUPACN-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCCCOc1c(Nc2nccs2)cccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2OS/c1-2-3-4-9-21-13-11(15(16,17)18)6-5-7-12(13)20-14-19-8-10-22-14/h5-8,10H,2-4,9H2,1H3,(H,19,20)
InChIKeyHZWZAZUPCGZJFY-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.47
Rot. Bonds7

About N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 123430112) has the molecular formula C15H17F3N2OS and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID123430112
Molecular FormulaC15H17F3N2OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCCCOc1c(Nc2nccs2)cccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2OS/c1-2-3-4-9-21-13-11(15(16,17)18)6-5-7-12(13)20-14-19-8-10-22-14/h5-8,10H,2-4,9H2,1H3,(H,19,20)
InChIKeyHZWZAZUPCGZJFY-UHFFFAOYSA-N
XLogP5.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956093
N-[3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956089
N-[3-(3-methylbut-2-enoxy)-4-propyl-phenyl]thiazol-2-amine
CID 15956094
N-[4-isopropyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956095
2-p-Ethoxyphenylaminothiazole
CID 956693
1-[2,4-Dimethoxy-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 10067136
N-[4-pentoxy-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 11954418
1-(3-Fluoro-2-tetradecoxyphenyl)-3-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea
CID 19925402
N-[4-octoxy-3-(trifluoromethyl)phenyl]-5-pyridin-3-yloxy-1,3-thiazol-2-amine
CID 57573797

Frequently Asked Questions

What is the IUPAC name of N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 123430112) is N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCCCCOc1c(Nc2nccs2)cccc1C(F)(F)F.
What is the InChIKey of N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HZWZAZUPCGZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2OS/c1-2-3-4-9-21-13-11(15(16,17)18)6-5-7-12(13)20-14-19-8-10-22-14/h5-8,10H,2-4,9H2,1H3,(H,19,20).
What are the key properties of N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 330.38 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 123430112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).