N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C11H13ClN2S — CID 2996926

IUPACN-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2ccccc2Cl)S1
InChIInChI=1S/C11H13ClN2S/c1-8-6-13-11(15-8)14-7-9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyMOAMXBNMZAYBBS-UHFFFAOYSA-N
MW240.76 g/mol
LogP2.92
Rot. Bonds2

About N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2996926) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2996926
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2ccccc2Cl)S1
InChIInChI=1S/C11H13ClN2S/c1-8-6-13-11(15-8)14-7-9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyMOAMXBNMZAYBBS-UHFFFAOYSA-N
XLogP2.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2996926) is N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCc2ccccc2Cl)S1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MOAMXBNMZAYBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-8-6-13-11(15-8)14-7-9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 240.76 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2996926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).