N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H11ClFN3O3S — CID 26585879

IUPACN-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H11ClFN3O3S/c17-9-3-4-12(11(18)6-9)20-14(22)7-10-8-25-16(19-10)21-15(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,20,22)(H,19,21,23)
InChIKeyRMFRWQCVTQNKKP-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.96
Rot. Bonds5

About N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 26585879) has the molecular formula C16H11ClFN3O3S and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID26585879
Molecular FormulaC16H11ClFN3O3S
Molecular Weight379.80 g/mol
Exact Mass379.02
IUPAC NameN-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C16H11ClFN3O3S/c17-9-3-4-12(11(18)6-9)20-14(22)7-10-8-25-16(19-10)21-15(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,20,22)(H,19,21,23)
InChIKeyRMFRWQCVTQNKKP-UHFFFAOYSA-N
XLogP3.96
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 26585879) is N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is RMFRWQCVTQNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O3S/c17-9-3-4-12(11(18)6-9)20-14(22)7-10-8-25-16(19-10)21-15(23)13-2-1-5-24-13/h1-6,8H,7H2,(H,20,22)(H,19,21,23).
What are the key properties of N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 379.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 26585879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).