5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide

C24H25FN4O4S — CID 58966332

IUPAC5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2csc(N(C(N)=O)c3ccc(OCC4CCCCC4)c(F)c3)n2)ccc1O
InChIInChI=1S/C24H25FN4O4S/c25-18-11-16(7-9-21(18)33-12-14-4-2-1-3-5-14)29(23(27)32)24-28-19(13-34-24)15-6-8-20(30)17(10-15)22(26)31/h6-11,13-14,30H,1-5,12H2,(H2,26,31)(H2,27,32)
InChIKeyDFXOAKXFQWGAGU-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.93
Rot. Bonds7

About 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 58966332) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID58966332
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC Name5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2csc(N(C(N)=O)c3ccc(OCC4CCCCC4)c(F)c3)n2)ccc1O
InChIInChI=1S/C24H25FN4O4S/c25-18-11-16(7-9-21(18)33-12-14-4-2-1-3-5-14)29(23(27)32)24-28-19(13-34-24)15-6-8-20(30)17(10-15)22(26)31/h6-11,13-14,30H,1-5,12H2,(H2,26,31)(H2,27,32)
InChIKeyDFXOAKXFQWGAGU-UHFFFAOYSA-N
XLogP4.93
TPSA131.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 58966332) is 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2csc(N(C(N)=O)c3ccc(OCC4CCCCC4)c(F)c3)n2)ccc1O.
What is the InChIKey of 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is DFXOAKXFQWGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c25-18-11-16(7-9-21(18)33-12-14-4-2-1-3-5-14)29(23(27)32)24-28-19(13-34-24)15-6-8-20(30)17(10-15)22(26)31/h6-11,13-14,30H,1-5,12H2,(H2,26,31)(H2,27,32).
What are the key properties of 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 484.55 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[N-carbamoyl-4-(cyclohexylmethoxy)-3-fluoroanilino]-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 58966332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).