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

C17H14ClFN2O2S — CID 47082872

IUPAC4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1Cl
InChIInChI=1S/C17H14ClFN2O2S/c1-8-13(14(18)9(2)23-8)16(22)21-17-20-15(10(3)24-17)11-4-6-12(19)7-5-11/h4-7H,1-3H3,(H,20,21,22)
InChIKeyWYEFWLZECZTSQR-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.37
Rot. Bonds3

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

4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 47082872) has the molecular formula C17H14ClFN2O2S and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID47082872
Molecular FormulaC17H14ClFN2O2S
Molecular Weight364.83 g/mol
Exact Mass364.04
IUPAC Name4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1Cl
InChIInChI=1S/C17H14ClFN2O2S/c1-8-13(14(18)9(2)23-8)16(22)21-17-20-15(10(3)24-17)11-4-6-12(19)7-5-11/h4-7H,1-3H3,(H,20,21,22)
InChIKeyWYEFWLZECZTSQR-UHFFFAOYSA-N
XLogP5.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
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2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3151931
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38915062
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177617
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylbut-2-enamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide (CID 47082872) is 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1Cl.
What is the InChIKey of 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WYEFWLZECZTSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S/c1-8-13(14(18)9(2)23-8)16(22)21-17-20-15(10(3)24-17)11-4-6-12(19)7-5-11/h4-7H,1-3H3,(H,20,21,22).
What are the key properties of 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 364.83 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 47082872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).