[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine

C12H12ClFN2S — CID 104840974

IUPAC[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2c(F)cccc2Cl)sc1CN
InChIInChI=1S/C12H12ClFN2S/c1-2-9-10(6-15)17-12(16-9)11-7(13)4-3-5-8(11)14/h3-5H,2,6,15H2,1H3
InChIKeyNOVPQQLRBLGXFA-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.62
Rot. Bonds3

About [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine

[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 104840974) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID104840974
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2c(F)cccc2Cl)sc1CN
InChIInChI=1S/C12H12ClFN2S/c1-2-9-10(6-15)17-12(16-9)11-7(13)4-3-5-8(11)14/h3-5H,2,6,15H2,1H3
InChIKeyNOVPQQLRBLGXFA-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990
[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 107932019
[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 107918051
1-[4-tert-butyl-2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362415
[2-(2-ethylsulfanyl-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362037
5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520
ethyl 2-(2-chloro-6-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526266
4-(2-chloro-6-fluorophenyl)-2-ethyl-1,3-thiazol-5-amine
CID 62082901
ethyl 2-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 80574224
[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 112706350
2-(2-chloro-6-fluorophenyl)-1,3-benzothiazol-7-amine
CID 95482954
N-[[2-(2-chloro-6-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367369

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 104840974) is [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is CCc1nc(-c2c(F)cccc2Cl)sc1CN.
What is the InChIKey of [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is NOVPQQLRBLGXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-2-9-10(6-15)17-12(16-9)11-7(13)4-3-5-8(11)14/h3-5H,2,6,15H2,1H3.
What are the key properties of [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.76 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104840974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).