1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol

C13H14N2O2S2 — CID 16785315

IUPAC1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol
SMILESCc1nc2c(cc(OCC(O)CN)c3ccsc32)s1
InChIInChI=1S/C13H14N2O2S2/c1-7-15-12-11(19-7)4-10(17-6-8(16)5-14)9-2-3-18-13(9)12/h2-4,8,16H,5-6,14H2,1H3
InChIKeyAIFWCNICNZULFJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.52
Rot. Bonds4

About 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol

1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol (PubChem CID 16785315) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol
PubChem CID16785315
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol
SMILESCc1nc2c(cc(OCC(O)CN)c3ccsc32)s1
InChIInChI=1S/C13H14N2O2S2/c1-7-15-12-11(19-7)4-10(17-6-8(16)5-14)9-2-3-18-13(9)12/h2-4,8,16H,5-6,14H2,1H3
InChIKeyAIFWCNICNZULFJ-UHFFFAOYSA-N
XLogP2.52
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropane-1,2-diol
CID 82850209
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanamine
CID 24702680
2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanethioamide
CID 43368678
2-ethoxy-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 63072363
2-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropanimidamide
CID 43175291
4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybut-2-en-1-amine
CID 77110517
3-[(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxymethyl]pentan-3-ol
CID 114495960
3,3,3-trifluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 43752863
N-methyl-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-1-amine
CID 29015348
N-methyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451687
4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypentan-2-one
CID 64698939
N-ethyl-4-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxybutan-1-amine
CID 62451845

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol?
The IUPAC name of 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol (CID 16785315) is 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol.
What is the SMILES notation for 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol?
The canonical SMILES for 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol is Cc1nc2c(cc(OCC(O)CN)c3ccsc32)s1.
What is the InChIKey of 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol?
The InChIKey is AIFWCNICNZULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-7-15-12-11(19-7)4-10(17-6-8(16)5-14)9-2-3-18-13(9)12/h2-4,8,16H,5-6,14H2,1H3.
What are the key properties of 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol?
1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropan-2-ol is sourced from PubChem (CID 16785315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).