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

C14H16N2OS — CID 79632340

IUPAC6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCOc1ccc(C2CCc3nc(N)sc32)cc1C
InChIInChI=1S/C14H16N2OS/c1-8-7-9(3-6-12(8)17-2)10-4-5-11-13(10)18-14(15)16-11/h3,6-7,10H,4-5H2,1-2H3,(H2,15,16)
InChIKeyNKEPXFOEPWVJMY-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.12
Rot. Bonds2

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

6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 79632340) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID79632340
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCOc1ccc(C2CCc3nc(N)sc32)cc1C
InChIInChI=1S/C14H16N2OS/c1-8-7-9(3-6-12(8)17-2)10-4-5-11-13(10)18-14(15)16-11/h3,6-7,10H,4-5H2,1-2H3,(H2,15,16)
InChIKeyNKEPXFOEPWVJMY-UHFFFAOYSA-N
XLogP3.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 79632340) is 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is COc1ccc(C2CCc3nc(N)sc32)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is NKEPXFOEPWVJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-8-7-9(3-6-12(8)17-2)10-4-5-11-13(10)18-14(15)16-11/h3,6-7,10H,4-5H2,1-2H3,(H2,15,16).
What are the key properties of 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 79632340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).