ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide

C18H23F3N2O2S — CID 167489119

IUPACethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
SMILESCC.CC(=O)Nc1nc(-c2ccc(C(F)(F)F)c(O)c2)c(CC(C)C)s1
InChIInChI=1S/C16H17F3N2O2S.C2H6/c1-8(2)6-13-14(21-15(24-13)20-9(3)22)10-4-5-11(12(23)7-10)16(17,18)19;1-2/h4-5,7-8,23H,6H2,1-3H3,(H,20,21,22);1-2H3
InChIKeyFXVKMPWKKRJMJY-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.72
Rot. Bonds4

About ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide

ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 167489119) has the molecular formula C18H23F3N2O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
PubChem CID167489119
Molecular FormulaC18H23F3N2O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC Nameethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
SMILESCC.CC(=O)Nc1nc(-c2ccc(C(F)(F)F)c(O)c2)c(CC(C)C)s1
InChIInChI=1S/C16H17F3N2O2S.C2H6/c1-8(2)6-13-14(21-15(24-13)20-9(3)22)10-4-5-11(12(23)7-10)16(17,18)19;1-2/h4-5,7-8,23H,6H2,1-3H3,(H,20,21,22);1-2H3
InChIKeyFXVKMPWKKRJMJY-UHFFFAOYSA-N
XLogP5.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide (CID 167489119) is ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide is CC.CC(=O)Nc1nc(-c2ccc(C(F)(F)F)c(O)c2)c(CC(C)C)s1.
What is the InChIKey of ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FXVKMPWKKRJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S.C2H6/c1-8(2)6-13-14(21-15(24-13)20-9(3)22)10-4-5-11(12(23)7-10)16(17,18)19;1-2/h4-5,7-8,23H,6H2,1-3H3,(H,20,21,22);1-2H3.
What are the key properties of ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide?
ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.46 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167489119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).