N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

C15H11FN2O2S — CID 694812

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C15H11FN2O2S/c1-9-2-7-13(20-9)14(19)18-15-17-12(8-21-15)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19)
InChIKeyFJWVJMKDPYTVIQ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.10
Rot. Bonds3

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (PubChem CID 694812) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
PubChem CID694812
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C15H11FN2O2S/c1-9-2-7-13(20-9)14(19)18-15-17-12(8-21-15)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19)
InChIKeyFJWVJMKDPYTVIQ-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide (CID 694812) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
The InChIKey is FJWVJMKDPYTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-9-2-7-13(20-9)14(19)18-15-17-12(8-21-15)10-3-5-11(16)6-4-10/h2-8H,1H3,(H,17,18,19).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 694812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).