1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine

C14H16ClFN2S — CID 63024387

IUPAC1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H16ClFN2S/c1-3-17-9(2)13-8-18-14(19-13)7-10-11(15)5-4-6-12(10)16/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyQMSNWYGQVQGOQN-UHFFFAOYSA-N
MW298.81 g/mol
LogP4.20
Rot. Bonds5

About 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine

1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 63024387) has the molecular formula C14H16ClFN2S and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID63024387
Molecular FormulaC14H16ClFN2S
Molecular Weight298.81 g/mol
Exact Mass298.07
IUPAC Name1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1cnc(Cc2c(F)cccc2Cl)s1
InChIInChI=1S/C14H16ClFN2S/c1-3-17-9(2)13-8-18-14(19-13)7-10-11(15)5-4-6-12(10)16/h4-6,8-9,17H,3,7H2,1-2H3
InChIKeyQMSNWYGQVQGOQN-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
1-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62651933
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63023882
N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154
N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651177
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63350444
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
1-[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66146662
1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62904548
N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964670
2-(2-chloro-6-fluorophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 22170794

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine (CID 63024387) is 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1cnc(Cc2c(F)cccc2Cl)s1.
What is the InChIKey of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is QMSNWYGQVQGOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2S/c1-3-17-9(2)13-8-18-14(19-13)7-10-11(15)5-4-6-12(10)16/h4-6,8-9,17H,3,7H2,1-2H3.
What are the key properties of 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 298.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 63024387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).