1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine

C18H19FN2S2 — CID 46966617

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1nc(C(Cc2ccsc2)NCc2ccc(F)cc2)sc1C
InChIInChI=1S/C18H19FN2S2/c1-12-13(2)23-18(21-12)17(9-15-7-8-22-11-15)20-10-14-3-5-16(19)6-4-14/h3-8,11,17,20H,9-10H2,1-2H3
InChIKeyGBJVDESBZLVFKX-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.03
Rot. Bonds6

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 46966617) has the molecular formula C18H19FN2S2 and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine
PubChem CID46966617
Molecular FormulaC18H19FN2S2
Molecular Weight346.50 g/mol
Exact Mass346.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine
SMILESCc1nc(C(Cc2ccsc2)NCc2ccc(F)cc2)sc1C
InChIInChI=1S/C18H19FN2S2/c1-12-13(2)23-18(21-12)17(9-15-7-8-22-11-15)20-10-14-3-5-16(19)6-4-14/h3-8,11,17,20H,9-10H2,1-2H3
InChIKeyGBJVDESBZLVFKX-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 92597615
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 110221989
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597648
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597640
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-methoxyacetamide
CID 110221996
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1,2-oxazol-5-yl)propanamide
CID 92597569
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 110222012
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110222003
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 110222036
(1S)-N-[(2-fluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51587244
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 83977634
3-cyclopropyl-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-1-methylpyrazole-5-carboxamide
CID 92597594

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine (CID 46966617) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine is Cc1nc(C(Cc2ccsc2)NCc2ccc(F)cc2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is GBJVDESBZLVFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2S2/c1-12-13(2)23-18(21-12)17(9-15-7-8-22-11-15)20-10-14-3-5-16(19)6-4-14/h3-8,11,17,20H,9-10H2,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 346.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 46966617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).