1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine

C14H14N2S2 — CID 79818826

IUPAC1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(Cc2nc3ccccc3s2)cs1
InChIInChI=1S/C14H14N2S2/c1-15-8-11-6-10(9-17-11)7-14-16-12-4-2-3-5-13(12)18-14/h2-6,9,15H,7-8H2,1H3
InChIKeyBIODDHXRZPOHSL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.67
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine

1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 79818826) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID79818826
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1cc(Cc2nc3ccccc3s2)cs1
InChIInChI=1S/C14H14N2S2/c1-15-8-11-6-10(9-17-11)7-14-16-12-4-2-3-5-13(12)18-14/h2-6,9,15H,7-8H2,1H3
InChIKeyBIODDHXRZPOHSL-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-3-ylmethyl)-1,3-benzothiazole
CID 102192956
3-(1,3-benzothiazol-2-ylmethyl)-5-methylaniline
CID 107579603
1-[2-(1,3-benzothiazol-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 104632145
4-(1,3-benzothiazol-2-ylmethyl)-2-ethylaniline
CID 81287573
2-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]thiophen-2-yl]acetic acid
CID 59698816
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
5-(1,3-benzothiazol-2-ylmethyl)pyridin-2-amine
CID 79818659
5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 79819322
3-(1,3-benzothiazol-2-ylmethyl)-5-fluorophenol
CID 83129856
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
1-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105169666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine (CID 79818826) is 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine is CNCc1cc(Cc2nc3ccccc3s2)cs1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is BIODDHXRZPOHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-15-8-11-6-10(9-17-11)7-14-16-12-4-2-3-5-13(12)18-14/h2-6,9,15H,7-8H2,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine?
1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 79818826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).