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

C20H21FN2O2S — CID 55650773

IUPAC2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C20H21FN2O2S/c1-13(5-10-17-4-3-11-25-17)22-20(24)19-14(2)23-18(26-19)12-15-6-8-16(21)9-7-15/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,22,24)
InChIKeyINXHKNPKAFEXKS-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.53
Rot. Bonds7

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

2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55650773) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55650773
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)CCc1ccco1
InChIInChI=1S/C20H21FN2O2S/c1-13(5-10-17-4-3-11-25-17)22-20(24)19-14(2)23-18(26-19)12-15-6-8-16(21)9-7-15/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,22,24)
InChIKeyINXHKNPKAFEXKS-UHFFFAOYSA-N
XLogP4.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55650773) is 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NC(C)CCc1ccco1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is INXHKNPKAFEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-13(5-10-17-4-3-11-25-17)22-20(24)19-14(2)23-18(26-19)12-15-6-8-16(21)9-7-15/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55650773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).