[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine

C10H8ClFN2S — CID 63082297

IUPAC[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C10H8ClFN2S/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,5H,4,13H2
InChIKeyBOCMEJYEJNEJEG-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.06
Rot. Bonds2

About [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine

[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63082297) has the molecular formula C10H8ClFN2S and a molecular weight of 242.71 g/mol. Its IUPAC name is [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
PubChem CID63082297
Molecular FormulaC10H8ClFN2S
Molecular Weight242.71 g/mol
Exact Mass242.01
IUPAC Name[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(Cl)cc2F)s1
InChIInChI=1S/C10H8ClFN2S/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,5H,4,13H2
InChIKeyBOCMEJYEJNEJEG-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazol-5-yl]methanamine
CID 178134350
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
[2-(3,5-dichloro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79779918
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
[2-(5-chloroquinolin-8-yl)-1,3-thiazol-5-yl]methanamine
CID 112618307
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79712640
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine (CID 63082297) is [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(-c2ccc(Cl)cc2F)s1.
What is the InChIKey of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BOCMEJYEJNEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2S/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,5H,4,13H2.
What are the key properties of [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine?
[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63082297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).