(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine

C13H12Cl2N2S — CID 61333069

IUPAC(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H12Cl2N2S/c14-8-5-4-7(6-9(8)15)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2
InChIKeyWQOFRKSTMOYKCD-UHFFFAOYSA-N
MW299.23 g/mol
LogP3.99
Rot. Bonds2

About (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine

(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (PubChem CID 61333069) has the molecular formula C13H12Cl2N2S and a molecular weight of 299.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
PubChem CID61333069
Molecular FormulaC13H12Cl2N2S
Molecular Weight299.23 g/mol
Exact Mass298.01
IUPAC Name(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNC(c1ccc(Cl)c(Cl)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H12Cl2N2S/c14-8-5-4-7(6-9(8)15)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2
InChIKeyWQOFRKSTMOYKCD-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine (CID 61333069) is (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is NC(c1ccc(Cl)c(Cl)c1)c1nc2c(s1)CCC2.
What is the InChIKey of (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
The InChIKey is WQOFRKSTMOYKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2S/c14-8-5-4-7(6-9(8)15)12(16)13-17-10-2-1-3-11(10)18-13/h4-6,12H,1-3,16H2.
What are the key properties of (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine?
(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine has a molecular weight of 299.23 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 (3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 61333069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).