1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C11H11ClN2S — CID 18525799

IUPAC1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3
InChIKeyYHQACXKNKUPSSA-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.18
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 18525799) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID18525799
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3
InChIKeyYHQACXKNKUPSSA-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 18525799) is 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is YHQACXKNKUPSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-13-6-10-7-15-11(14-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 238.74 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 18525799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).