1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine

C14H13Cl2N3S — CID 107968554

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CC(N)c2cc(Cl)sc2Cl)c2ccccc21
InChIInChI=1S/C14H13Cl2N3S/c1-19-12-5-3-2-4-8(12)11(18-19)7-10(17)9-6-13(15)20-14(9)16/h2-6,10H,7,17H2,1H3
InChIKeyHTWCSPJPGUTXQC-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.18
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine (PubChem CID 107968554) has the molecular formula C14H13Cl2N3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
PubChem CID107968554
Molecular FormulaC14H13Cl2N3S
Molecular Weight326.25 g/mol
Exact Mass325.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CC(N)c2cc(Cl)sc2Cl)c2ccccc21
InChIInChI=1S/C14H13Cl2N3S/c1-19-12-5-3-2-4-8(12)11(18-19)7-10(17)9-6-13(15)20-14(9)16/h2-6,10H,7,17H2,1H3
InChIKeyHTWCSPJPGUTXQC-UHFFFAOYSA-N
XLogP4.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorofuran-3-yl)-2-(1-methylindazol-3-yl)ethanamine
CID 106692425
1-(3,4-dichlorophenyl)-2-(1-methylindazol-3-yl)ethanamine
CID 81494685
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 107968447
2-(1-methylindazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923576
1-(5-chloro-1,3-thiazol-2-yl)-2-(1-methylindazol-3-yl)ethanol
CID 107124921
2-(1-methylindazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanamine
CID 105161433
3-[3-chloro-2-(2-chlorophenyl)propyl]-1-methylindazole
CID 79437567
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
3-[3-chloro-2-(2-methylphenyl)propyl]-1-methylindazole
CID 79424447
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 106692423
3-[3-chloro-2-(3-chlorophenyl)propyl]-1-methylindazole
CID 79433711
2-(3-chlorophenyl)-3-(1-methylindazol-3-yl)propan-1-ol
CID 79431437

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine (CID 107968554) is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine is Cn1nc(CC(N)c2cc(Cl)sc2Cl)c2ccccc21.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
The InChIKey is HTWCSPJPGUTXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S/c1-19-12-5-3-2-4-8(12)11(18-19)7-10(17)9-6-13(15)20-14(9)16/h2-6,10H,7,17H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine has a molecular weight of 326.25 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 107968554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).