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

C14H14N2S2 — CID 43118621

IUPAC2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C14H14N2S2/c1-9-6-7-17-14(9)10(15)8-13-16-11-4-2-3-5-12(11)18-13/h2-7,10H,8,15H2,1H3
InChIKeyZYZDUPROTOMSPQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.91
Rot. Bonds3

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

2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 43118621) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID43118621
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(N)Cc1nc2ccccc2s1
InChIInChI=1S/C14H14N2S2/c1-9-6-7-17-14(9)10(15)8-13-16-11-4-2-3-5-12(11)18-13/h2-7,10H,8,15H2,1H3
InChIKeyZYZDUPROTOMSPQ-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

1-(1,3-benzothiazol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 43314618
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63991028
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105169681
2-(2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61078535
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
1-(1,3-benzothiazol-2-yl)-3-methoxypropan-2-amine
CID 63197747
2-(1,3-benzothiazol-2-yl)-1-(4-bromophenyl)ethanamine
CID 43118698
2-[2-bromo-2-(3-methoxythiophen-2-yl)ethyl]-1,3-benzothiazole
CID 81139257
2-(1,3-benzothiazol-2-yl)-1-(5-ethylfuran-2-yl)ethanamine
CID 79095111
2-(1,3-benzothiazol-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791130
2-[2-chloro-2-(2-methylphenyl)ethyl]-1,3-benzothiazole
CID 66458930

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine (CID 43118621) is 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(N)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is ZYZDUPROTOMSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9-6-7-17-14(9)10(15)8-13-16-11-4-2-3-5-12(11)18-13/h2-7,10H,8,15H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine?
2-(1,3-benzothiazol-2-yl)-1-(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 2-(1,3-benzothiazol-2-yl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 43118621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).