N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C14H16N2S — CID 777511

IUPACN-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1ccc(Nc2nc3c(s2)CCC3)c(C)c1
InChIInChI=1S/C14H16N2S/c1-9-6-7-11(10(2)8-9)15-14-16-12-4-3-5-13(12)17-14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyITKMZZMLDHMSPZ-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.99
Rot. Bonds2

About N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 777511) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID777511
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1ccc(Nc2nc3c(s2)CCC3)c(C)c1
InChIInChI=1S/C14H16N2S/c1-9-6-7-11(10(2)8-9)15-14-16-12-4-3-5-13(12)17-14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyITKMZZMLDHMSPZ-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 777511) is N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Cc1ccc(Nc2nc3c(s2)CCC3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is ITKMZZMLDHMSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-6-7-11(10(2)8-9)15-14-16-12-4-3-5-13(12)17-14/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 244.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 777511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).