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

C13H14N2S — CID 685081

IUPACN-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1cccc(Nc2nc3c(s2)CCC3)c1
InChIInChI=1S/C13H14N2S/c1-9-4-2-5-10(8-9)14-13-15-11-6-3-7-12(11)16-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)
InChIKeyYGTWJMQOZUIFEV-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.68
Rot. Bonds2

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

N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 685081) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID685081
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1cccc(Nc2nc3c(s2)CCC3)c1
InChIInChI=1S/C13H14N2S/c1-9-4-2-5-10(8-9)14-13-15-11-6-3-7-12(11)16-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)
InChIKeyYGTWJMQOZUIFEV-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 685081) is N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Cc1cccc(Nc2nc3c(s2)CCC3)c1.
What is the InChIKey of N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is YGTWJMQOZUIFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-4-2-5-10(8-9)14-13-15-11-6-3-7-12(11)16-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15).
What are the key properties of N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 230.34 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 685081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).