1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine

C13H12N2S2 — CID 43314623

IUPAC1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1nc2ccccc2s1
InChIInChI=1S/C13H12N2S2/c14-10(8-9-4-3-7-16-9)13-15-11-5-1-2-6-12(11)17-13/h1-7,10H,8,14H2
InChIKeyYRKXWVGKRLXIEI-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.60
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine

1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 43314623) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID43314623
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESNC(Cc1cccs1)c1nc2ccccc2s1
InChIInChI=1S/C13H12N2S2/c14-10(8-9-4-3-7-16-9)13-15-11-5-1-2-6-12(11)17-13/h1-7,10H,8,14H2
InChIKeyYRKXWVGKRLXIEI-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524719
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
CID 80702671
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 24699449
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-(2-thiophen-2-ylethyl)propanamide
CID 76695967
1-(1,3-benzothiazol-2-yl)-2-(3-but-1-ynylphenyl)ethanamine
CID 168913459
1-(1,3-benzothiazol-2-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 82836838
1-(1,3-benzothiazol-2-yl)prop-2-en-1-amine
CID 67137210

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine (CID 43314623) is 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine is NC(Cc1cccs1)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is YRKXWVGKRLXIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c14-10(8-9-4-3-7-16-9)13-15-11-5-1-2-6-12(11)17-13/h1-7,10H,8,14H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine?
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 260.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 43314623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).