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

C13H10ClN3S — CID 62493395

IUPAC5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H10ClN3S/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)
InChIKeyIBODEGFPCMZYDH-UHFFFAOYSA-N
MW275.76 g/mol
LogP3.90
Rot. Bonds2

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

5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile (PubChem CID 62493395) has the molecular formula C13H10ClN3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
PubChem CID62493395
Molecular FormulaC13H10ClN3S
Molecular Weight275.76 g/mol
Exact Mass275.03
IUPAC Name5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H10ClN3S/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)
InChIKeyIBODEGFPCMZYDH-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 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
The IUPAC name of 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile (CID 62493395) is 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile is N#Cc1cc(Cl)ccc1Nc1nc2c(s1)CCC2.
What is the InChIKey of 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
The InChIKey is IBODEGFPCMZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S/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 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile?
5-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 5-chloro-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 62493395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).