2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

C15H15ClN2S2 — CID 80641097

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc2ccccc2s1)c1sccc1Cl
InChIInChI=1S/C15H15ClN2S2/c1-2-17-12(15-10(16)7-8-19-15)9-14-18-11-5-3-4-6-13(11)20-14/h3-8,12,17H,2,9H2,1H3
InChIKeyAHTLYOBPHCAYBX-UHFFFAOYSA-N
MW322.89 g/mol
LogP4.90
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine

2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 80641097) has the molecular formula C15H15ClN2S2 and a molecular weight of 322.89 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID80641097
Molecular FormulaC15H15ClN2S2
Molecular Weight322.89 g/mol
Exact Mass322.04
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc2ccccc2s1)c1sccc1Cl
InChIInChI=1S/C15H15ClN2S2/c1-2-17-12(15-10(16)7-8-19-15)9-14-18-11-5-3-4-6-13(11)20-14/h3-8,12,17H,2,9H2,1H3
InChIKeyAHTLYOBPHCAYBX-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103402602
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
2-(1,3-benzothiazol-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79977130
1-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104770852
1-(1,3-benzothiazol-2-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43314747
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-chlorophenyl)propan-1-amine
CID 43078244
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064046
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine (CID 80641097) is 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1nc2ccccc2s1)c1sccc1Cl.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is AHTLYOBPHCAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S2/c1-2-17-12(15-10(16)7-8-19-15)9-14-18-11-5-3-4-6-13(11)20-14/h3-8,12,17H,2,9H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine?
2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 322.89 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 80641097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).