2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile

C13H10FN3S — CID 55231719

IUPAC2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H10FN3S/c14-9-4-5-10(8(6-9)7-15)16-13-17-11-2-1-3-12(11)18-13/h4-6H,1-3H2,(H,16,17)
InChIKeyNORGPHNLQRSHKC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.39
Rot. Bonds2

About 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile

2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile (PubChem CID 55231719) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile
PubChem CID55231719
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H10FN3S/c14-9-4-5-10(8(6-9)7-15)16-13-17-11-2-1-3-12(11)18-13/h4-6H,1-3H2,(H,16,17)
InChIKeyNORGPHNLQRSHKC-UHFFFAOYSA-N
XLogP3.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-o-tolylthiazol-2-amine
CID 44411322
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
4-methyl-N,5-diphenyl-1,3-thiazol-2-amine
CID 2336973
N-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 873012
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2118762
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluoro-6-methylphenyl)-1,3-thiazol-2-amine
CID 126619418
N-(4-Fluorophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 623055
N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 777511
N-(4-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 2746054
N-(2-ethylphenyl)-4-methyl-1,3-thiazol-2-amine
CID 126619383
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluoro-2-methylphenyl)-1,3-thiazol-2-amine
CID 126619429
1-(4-Cyanophenyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiourea
CID 127030914

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile (CID 55231719) is 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile?
The InChIKey is NORGPHNLQRSHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-9-4-5-10(8(6-9)7-15)16-13-17-11-2-1-3-12(11)18-13/h4-6H,1-3H2,(H,16,17).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile?
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)-5-fluorobenzonitrile is sourced from PubChem (CID 55231719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).