[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine

C11H10ClFN2S — CID 82806898

IUPAC[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccc(Cl)c2F)s1
InChIInChI=1S/C11H10ClFN2S/c12-9-3-1-2-7(11(9)13)4-10-15-6-8(5-14)16-10/h1-3,6H,4-5,14H2
InChIKeyPMYSRBGHESWHED-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.99
Rot. Bonds3

About [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine

[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82806898) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82806898
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(Cc2cccc(Cl)c2F)s1
InChIInChI=1S/C11H10ClFN2S/c12-9-3-1-2-7(11(9)13)4-10-15-6-8(5-14)16-10/h1-3,6H,4-5,14H2
InChIKeyPMYSRBGHESWHED-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82805503
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol
CID 82808096
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoropyridine
CID 58626672
5-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-1,3-oxazole
CID 90396876
2-[2-[(3-chloro-2-fluorophenyl)methyl]pyrimidin-4-yl]ethanamine
CID 82807421
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82802807
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
CID 90395034
[2-[(3-chloro-2-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 82806244

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 82806898) is [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(Cc2cccc(Cl)c2F)s1.
What is the InChIKey of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is PMYSRBGHESWHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-9-3-1-2-7(11(9)13)4-10-15-6-8(5-14)16-10/h1-3,6H,4-5,14H2.
What are the key properties of [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine?
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 256.73 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82806898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).