2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile

C14H14FN3S — CID 112697218

IUPAC2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
SMILESCCc1cnc(C(C)Nc2cccc(F)c2C#N)s1
InChIInChI=1S/C14H14FN3S/c1-3-10-8-17-14(19-10)9(2)18-13-6-4-5-12(15)11(13)7-16/h4-6,8-9,18H,3H2,1-2H3
InChIKeyPWAPNASWUVVSTN-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.89
Rot. Bonds4

About 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile

2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile (PubChem CID 112697218) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
PubChem CID112697218
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile
SMILESCCc1cnc(C(C)Nc2cccc(F)c2C#N)s1
InChIInChI=1S/C14H14FN3S/c1-3-10-8-17-14(19-10)9(2)18-13-6-4-5-12(15)11(13)7-16/h4-6,8-9,18H,3H2,1-2H3
InChIKeyPWAPNASWUVVSTN-UHFFFAOYSA-N
XLogP3.89
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-benzothiazol-2-yl)ethylamino]-6-fluorobenzonitrile
CID 43580253
2-bromo-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 114888414
2-fluoro-6-(1-thiophen-2-ylethylamino)benzonitrile
CID 43399529
2-fluoro-6-(2-methylpentan-3-ylamino)benzonitrile
CID 43778303
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
4-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-3,5-difluorobenzonitrile
CID 107038858
1-(2,6-difluorophenyl)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 97331125
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-3-nitrobenzonitrile
CID 115681183
2-fluoro-6-(4-hydroxybutan-2-ylamino)benzonitrile
CID 78997304
2-fluoro-6-(4-methylpentan-2-ylamino)benzonitrile
CID 43580259
3-chloro-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 133335763
2-(1-ethylsulfonylpropan-2-ylamino)-6-fluorobenzonitrile
CID 56789855

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile (CID 112697218) is 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile is CCc1cnc(C(C)Nc2cccc(F)c2C#N)s1.
What is the InChIKey of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile?
The InChIKey is PWAPNASWUVVSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-3-10-8-17-14(19-10)9(2)18-13-6-4-5-12(15)11(13)7-16/h4-6,8-9,18H,3H2,1-2H3.
What are the key properties of 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile?
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile has a molecular weight of 275.35 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 112697218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).