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

C13H14N2OS — CID 647482

IUPACN-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCOc1ccccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H14N2OS/c1-16-11-7-3-2-5-9(11)14-13-15-10-6-4-8-12(10)17-13/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)
InChIKeyCZNGCIREEDNKQO-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.38
Rot. Bonds3

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

N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 647482) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID647482
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCOc1ccccc1Nc1nc2c(s1)CCC2
InChIInChI=1S/C13H14N2OS/c1-16-11-7-3-2-5-9(11)14-13-15-10-6-4-8-12(10)17-13/h2-3,5,7H,4,6,8H2,1H3,(H,14,15)
InChIKeyCZNGCIREEDNKQO-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 647482) is N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is COc1ccccc1Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is CZNGCIREEDNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-7-3-2-5-9(11)14-13-15-10-6-4-8-12(10)17-13/h2-3,5,7H,4,6,8H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 246.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 647482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).