[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine

C11H11ClN2S — CID 20982897

IUPAC[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)5-11-14-10(6-13)7-15-11/h1-4,7H,5-6,13H2
InChIKeyYYVKOGQLZIBLIK-UHFFFAOYSA-N
MW238.74 g/mol
LogP2.85
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine

[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 20982897) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID20982897
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)5-11-14-10(6-13)7-15-11/h1-4,7H,5-6,13H2
InChIKeyYYVKOGQLZIBLIK-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine (CID 20982897) is [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine is NCc1csc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is YYVKOGQLZIBLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-9-3-1-8(2-4-9)5-11-14-10(6-13)7-15-11/h1-4,7H,5-6,13H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 238.74 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 20982897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).