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

C11H10Cl2N2OS — CID 62484343

IUPAC[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H10Cl2N2OS/c12-9-2-1-8(3-10(9)13)16-5-7-6-17-11(4-14)15-7/h1-3,6H,4-5,14H2
InChIKeyXXPUANORKCIXPN-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.49
Rot. Bonds4

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

[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62484343) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62484343
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(COc2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C11H10Cl2N2OS/c12-9-2-1-8(3-10(9)13)16-5-7-6-17-11(4-14)15-7/h1-3,6H,4-5,14H2
InChIKeyXXPUANORKCIXPN-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 83134833
[4-(1,3-benzodioxol-5-yloxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62450878
[4-[(4-propylphenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62548421
[4-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 3932194
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63879023
[4-[[4-(2-methylbutan-2-yl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine
CID 62452340
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708
[5-[(3,4-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62485761
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
[4-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 55077570

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine (CID 62484343) is [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine is NCc1nc(COc2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is XXPUANORKCIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c12-9-2-1-8(3-10(9)13)16-5-7-6-17-11(4-14)15-7/h1-3,6H,4-5,14H2.
What are the key properties of [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 289.19 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62484343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).