1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H13FN2S2 — CID 104997058

IUPAC1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2cc3ccc(F)cc3s2)cs1
InChIInChI=1S/C14H13FN2S2/c1-8-17-11(7-18-8)6-12(16)14-4-9-2-3-10(15)5-13(9)19-14/h2-5,7,12H,6,16H2,1H3
InChIKeyPAOVYDOVZHVURH-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.05
Rot. Bonds3

About 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997058) has the molecular formula C14H13FN2S2 and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997058
Molecular FormulaC14H13FN2S2
Molecular Weight292.40 g/mol
Exact Mass292.05
IUPAC Name1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2cc3ccc(F)cc3s2)cs1
InChIInChI=1S/C14H13FN2S2/c1-8-17-11(7-18-8)6-12(16)14-4-9-2-3-10(15)5-13(9)19-14/h2-5,7,12H,6,16H2,1H3
InChIKeyPAOVYDOVZHVURH-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
2-(2,6-dimethylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105024539
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
2-(2-chloro-4-methylphenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 106867073
1-(6-fluoro-1-benzothiophen-2-yl)nonan-1-amine
CID 115835449
2-(4-bromo-2-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115844575
2-(3-bromo-5-fluorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105015577
1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039458
1-(2-bromo-5-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62799862
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003090
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997058) is 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CC(N)c2cc3ccc(F)cc3s2)cs1.
What is the InChIKey of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is PAOVYDOVZHVURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2S2/c1-8-17-11(7-18-8)6-12(16)14-4-9-2-3-10(15)5-13(9)19-14/h2-5,7,12H,6,16H2,1H3.
What are the key properties of 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 292.40 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).