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

C13H10ClN3S — CID 63093228

IUPAC4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H10ClN3S/c14-9-5-4-8(7-15)11(6-9)17-13-16-10-2-1-3-12(10)18-13/h4-6H,1-3H2,(H,16,17)
InChIKeyRXGREPOYHXWQNW-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.90
Rot. Bonds2

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

4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile (PubChem CID 63093228) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
PubChem CID63093228
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Cl)cc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H10ClN3S/c14-9-5-4-8(7-15)11(6-9)17-13-16-10-2-1-3-12(10)18-13/h4-6H,1-3H2,(H,16,17)
InChIKeyRXGREPOYHXWQNW-UHFFFAOYSA-N
XLogP3.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
The IUPAC name of 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile (CID 63093228) is 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile is N#Cc1ccc(Cl)cc1Nc1nc2c(s1)CCC2.
What is the InChIKey of 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
The InChIKey is RXGREPOYHXWQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/c14-9-5-4-8(7-15)11(6-9)17-13-16-10-2-1-3-12(10)18-13/h4-6H,1-3H2,(H,16,17).
What are the key properties of 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile has a molecular weight of 275.76 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 63093228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).