N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C19H19FN2O2S — CID 39105263

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C19H19FN2O2S/c1-12-4-9-17(24-12)19-21-16(11-25-19)10-18(23)22(3)13(2)14-5-7-15(20)8-6-14/h4-9,11,13H,10H2,1-3H3/t13-/m0/s1
InChIKeyUAGBLNBUBLLLNC-ZDUSSCGKSA-N
MW358.44 g/mol
LogP4.61
Rot. Bonds5

About N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 39105263) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID39105263
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C19H19FN2O2S/c1-12-4-9-17(24-12)19-21-16(11-25-19)10-18(23)22(3)13(2)14-5-7-15(20)8-6-14/h4-9,11,13H,10H2,1-3H3/t13-/m0/s1
InChIKeyUAGBLNBUBLLLNC-ZDUSSCGKSA-N
XLogP4.61
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6464408
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712
{4-[4-(4-Fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-furan-2-yl-methanone
CID 992692
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 2591248
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
(E)-3-(4-Fluoro-phenyl)-2-(4-furan-2-yl-thiazol-2-yl)-acrylonitrile
CID 6053780

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 39105263) is N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)cs2)o1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UAGBLNBUBLLLNC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12-4-9-17(24-12)19-21-16(11-25-19)10-18(23)22(3)13(2)14-5-7-15(20)8-6-14/h4-9,11,13H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 39105263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).