N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide

C19H20FN5O3S — CID 90818494

IUPACN-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
SMILESN#CC(CNC(=O)C1CCCO1)c1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H20FN5O3S/c20-14-4-1-3-12(7-14)9-23-18(27)25-19-24-15(11-29-19)13(8-21)10-22-17(26)16-5-2-6-28-16/h1,3-4,7,11,13,16H,2,5-6,9-10H2,(H,22,26)(H2,23,24,25,27)
InChIKeyVRCYSCAHQDYPBA-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.51
Rot. Bonds7

About N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide

N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide (PubChem CID 90818494) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
PubChem CID90818494
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC NameN-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
SMILESN#CC(CNC(=O)C1CCCO1)c1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H20FN5O3S/c20-14-4-1-3-12(7-14)9-23-18(27)25-19-24-15(11-29-19)13(8-21)10-22-17(26)16-5-2-6-28-16/h1,3-4,7,11,13,16H,2,5-6,9-10H2,(H,22,26)(H2,23,24,25,27)
InChIKeyVRCYSCAHQDYPBA-UHFFFAOYSA-N
XLogP2.51
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[[5-[(3-fluorophenyl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N-methyloxolane-2-carboxamide
CID 66662835
N-[2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]-5-oxooxolane-2-carboxamide
CID 91497274
N-[cyano-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 87095359
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-5-(methoxymethyl)oxolane-2-carboxamide
CID 91498125
1-[4-(cyclopentylsulfonylmethyl)-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 25207114
N-[2-[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide
CID 90950496
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcyclopentanecarboxamide
CID 87095190
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3-(methoxymethyl)oxolane-2-carboxamide
CID 91039775
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019
[(2R)-oxolan-2-yl] N-[[5-fluoro-2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylcarbamate
CID 130221833

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide (CID 90818494) is N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide is N#CC(CNC(=O)C1CCCO1)c1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is VRCYSCAHQDYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c20-14-4-1-3-12(7-14)9-23-18(27)25-19-24-15(11-29-19)13(8-21)10-22-17(26)16-5-2-6-28-16/h1,3-4,7,11,13,16H,2,5-6,9-10H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide?
N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-2-[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 90818494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).