1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

C11H12Cl2N2S2 — CID 107968948

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2N2S2/c1-2-15-9(3-7-5-14-6-16-7)8-4-10(12)17-11(8)13/h4-6,9,15H,2-3H2,1H3
InChIKeyRQFDIVUTIRFAQK-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.40
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 107968948) has the molecular formula C11H12Cl2N2S2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID107968948
Molecular FormulaC11H12Cl2N2S2
Molecular Weight307.27 g/mol
Exact Mass305.98
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H12Cl2N2S2/c1-2-15-9(3-7-5-14-6-16-7)8-4-10(12)17-11(8)13/h4-6,9,15H,2-3H2,1H3
InChIKeyRQFDIVUTIRFAQK-UHFFFAOYSA-N
XLogP4.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 114022092
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114894876
N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030608
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 115979280
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338
N-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine (CID 107968948) is 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is RQFDIVUTIRFAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2S2/c1-2-15-9(3-7-5-14-6-16-7)8-4-10(12)17-11(8)13/h4-6,9,15H,2-3H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 307.27 g/mol, XLogP of 4.40, 5 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)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 107968948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).