[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine

C11H10Cl2N2S — CID 3993937

IUPAC[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1sc(CN)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-6-11(15-10(5-14)16-6)8-3-2-7(12)4-9(8)13/h2-4H,5,14H2,1H3
InChIKeyGPVFNRKUGLTNOC-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.88
Rot. Bonds2

About [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine

[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 3993937) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID3993937
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine
SMILESCc1sc(CN)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2S/c1-6-11(15-10(5-14)16-6)8-3-2-7(12)4-9(8)13/h2-4H,5,14H2,1H3
InChIKeyGPVFNRKUGLTNOC-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine (CID 3993937) is [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine is Cc1sc(CN)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is GPVFNRKUGLTNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c1-6-11(15-10(5-14)16-6)8-3-2-7(12)4-9(8)13/h2-4H,5,14H2,1H3.
What are the key properties of [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine?
[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 273.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3993937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).