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

C17H15FN2O2S — CID 7207744

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccco1
InChIInChI=1S/C17H15FN2O2S/c1-11-15(8-9-19-16(21)14-3-2-10-22-14)23-17(20-11)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyAJUQHYOZKXDPDW-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.82
Rot. Bonds5

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

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide (PubChem CID 7207744) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide
PubChem CID7207744
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccco1
InChIInChI=1S/C17H15FN2O2S/c1-11-15(8-9-19-16(21)14-3-2-10-22-14)23-17(20-11)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyAJUQHYOZKXDPDW-UHFFFAOYSA-N
XLogP3.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide (CID 7207744) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
The InChIKey is AJUQHYOZKXDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-11-15(8-9-19-16(21)14-3-2-10-22-14)23-17(20-11)12-4-6-13(18)7-5-12/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7207744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).