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

C19H18FN3O2S2 — CID 55460998

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C
InChIInChI=1S/C19H18FN3O2S2/c1-4-16-10(2)7-17(27-16)18(25)23-19-22-15(9-26-19)13-6-5-12(8-14(13)20)21-11(3)24/h5-9H,4H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyLCWYCHUICKXYCB-UHFFFAOYSA-N
MW403.50 g/mol
LogP5.09
Rot. Bonds5

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

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 55460998) has the molecular formula C19H18FN3O2S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID55460998
Molecular FormulaC19H18FN3O2S2
Molecular Weight403.50 g/mol
Exact Mass403.08
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C
InChIInChI=1S/C19H18FN3O2S2/c1-4-16-10(2)7-17(27-16)18(25)23-19-22-15(9-26-19)13-6-5-12(8-14(13)20)21-11(3)24/h5-9H,4H2,1-3H3,(H,21,24)(H,22,23,25)
InChIKeyLCWYCHUICKXYCB-UHFFFAOYSA-N
XLogP5.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55372926
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356323
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 18139536
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 36541524
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55461133
N-[2-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649957

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 55460998) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3F)cs2)cc1C.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is LCWYCHUICKXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S2/c1-4-16-10(2)7-17(27-16)18(25)23-19-22-15(9-26-19)13-6-5-12(8-14(13)20)21-11(3)24/h5-9H,4H2,1-3H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 55460998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).