2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile

C13H10FN3S — CID 63669213

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(C2CC2)cs1
InChIInChI=1S/C13H10FN3S/c14-10-3-4-11(9(5-10)6-15)16-13-17-12(7-18-13)8-1-2-8/h3-5,7-8H,1-2H2,(H,16,17)
InChIKeyAEWJOAGFSVRPCF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.77
Rot. Bonds3

About 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile

2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile (PubChem CID 63669213) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
PubChem CID63669213
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1Nc1nc(C2CC2)cs1
InChIInChI=1S/C13H10FN3S/c14-10-3-4-11(9(5-10)6-15)16-13-17-12(7-18-13)8-1-2-8/h3-5,7-8H,1-2H2,(H,16,17)
InChIKeyAEWJOAGFSVRPCF-UHFFFAOYSA-N
XLogP3.77
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile (CID 63669213) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile is N#Cc1cc(F)ccc1Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile?
The InChIKey is AEWJOAGFSVRPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-10-3-4-11(9(5-10)6-15)16-13-17-12(7-18-13)8-1-2-8/h3-5,7-8H,1-2H2,(H,16,17).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-5-fluorobenzonitrile is sourced from PubChem (CID 63669213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).