1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine

C14H14N2S2 — CID 43314618

IUPAC1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CC(N)c1nc2ccccc2s1
InChIInChI=1S/C14H14N2S2/c1-9-6-7-17-13(9)8-10(15)14-16-11-4-2-3-5-12(11)18-14/h2-7,10H,8,15H2,1H3
InChIKeyBLEHAHHZCJACCW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.91
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine

1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 43314618) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID43314618
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CC(N)c1nc2ccccc2s1
InChIInChI=1S/C14H14N2S2/c1-9-6-7-17-13(9)8-10(15)14-16-11-4-2-3-5-12(11)18-14/h2-7,10H,8,15H2,1H3
InChIKeyBLEHAHHZCJACCW-UHFFFAOYSA-N
XLogP3.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 43118621
1-(1,3-benzothiazol-2-yl)-2-thiophen-2-ylethanamine
CID 43314623
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 24699449
1-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)ethanamine
CID 43314644
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632
3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 110015486
1-(1,3-benzothiazol-2-yl)-3-phenylbutan-1-amine
CID 61100465
1-(1,3-benzothiazol-2-yl)-2-[4-(difluoromethyl)phenyl]ethanamine
CID 115524719
1-(1,3-benzothiazol-2-yl)-3,3,3-trifluoropropan-1-amine
CID 82384630
1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115380744
2-(1-benzofuran-3-yl)-1-(1,3-benzothiazol-2-yl)ethanamine
CID 80702671
1-(1,3-benzothiazol-2-yl)-2-(3-but-1-ynylphenyl)ethanamine
CID 168913459

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine (CID 43314618) is 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1CC(N)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is BLEHAHHZCJACCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9-6-7-17-13(9)8-10(15)14-16-11-4-2-3-5-12(11)18-14/h2-7,10H,8,15H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine?
1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.91, 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-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 43314618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).