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

C12H12Cl2N2S — CID 107918051

IUPAC[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2cc(Cl)cc(Cl)c2)sc1CN
InChIInChI=1S/C12H12Cl2N2S/c1-2-10-11(6-15)17-12(16-10)7-3-8(13)5-9(14)4-7/h3-5H,2,6,15H2,1H3
InChIKeyBPPKCFZQDFIWSP-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.14
Rot. Bonds3

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

[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 107918051) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID107918051
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(-c2cc(Cl)cc(Cl)c2)sc1CN
InChIInChI=1S/C12H12Cl2N2S/c1-2-10-11(6-15)17-12(16-10)7-3-8(13)5-9(14)4-7/h3-5H,2,6,15H2,1H3
InChIKeyBPPKCFZQDFIWSP-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.14
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
[2-(2-chloro-6-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840974
[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 107932019
N-[[2-(3,5-dichlorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107918079
[2-(2-bromophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 112706350
[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
[4-(methoxymethyl)-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 114361705
[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114755452
4-[5-(aminomethyl)-4-(methoxymethyl)-1,3-thiazol-2-yl]phenol
CID 136889279
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
4-[5-(aminomethyl)-4-(2-methylpropyl)-1,3-thiazol-2-yl]phenol
CID 136889282

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 107918051) is [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is CCc1nc(-c2cc(Cl)cc(Cl)c2)sc1CN.
What is the InChIKey of [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is BPPKCFZQDFIWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-2-10-11(6-15)17-12(16-10)7-3-8(13)5-9(14)4-7/h3-5H,2,6,15H2,1H3.
What are the key properties of [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 287.22 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 107918051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).