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

C19H19FN2OS2 — CID 31685116

IUPAC3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCc3ccccc3F)s2)cs1
InChIInChI=1S/C19H19FN2OS2/c1-13-22-17(12-24-13)18-8-7-15(25-18)10-11-21-19(23)9-6-14-4-2-3-5-16(14)20/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,23)
InChIKeyVMDZQCYCILJUFD-UHFFFAOYSA-N
MW374.51 g/mol
LogP4.61
Rot. Bonds7

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

3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide (PubChem CID 31685116) has the molecular formula C19H19FN2OS2 and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
PubChem CID31685116
Molecular FormulaC19H19FN2OS2
Molecular Weight374.51 g/mol
Exact Mass374.09
IUPAC Name3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
SMILESCc1nc(-c2ccc(CCNC(=O)CCc3ccccc3F)s2)cs1
InChIInChI=1S/C19H19FN2OS2/c1-13-22-17(12-24-13)18-8-7-15(25-18)10-11-21-19(23)9-6-14-4-2-3-5-16(14)20/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,23)
InChIKeyVMDZQCYCILJUFD-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332712
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
2-(2-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533248
3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 33212111
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251
3-[4-(methylsulfamoyl)phenyl]-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 42575070
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
CID 18284447
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 30770191

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide (CID 31685116) is 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide is Cc1nc(-c2ccc(CCNC(=O)CCc3ccccc3F)s2)cs1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?
The InChIKey is VMDZQCYCILJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS2/c1-13-22-17(12-24-13)18-8-7-15(25-18)10-11-21-19(23)9-6-14-4-2-3-5-16(14)20/h2-5,7-8,12H,6,9-11H2,1H3,(H,21,23).
What are the key properties of 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide?
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide is sourced from PubChem (CID 31685116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).