1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H16N2O2S2 — CID 107804841

IUPAC1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccc2ncsc2c1)COCc1cccs1
InChIInChI=1S/C15H16N2O2S2/c18-12(8-19-9-13-2-1-5-20-13)7-16-11-3-4-14-15(6-11)21-10-17-14/h1-6,10,12,16,18H,7-9H2
InChIKeyRPFYZQLRZKSVQD-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.35
Rot. Bonds7

About 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 107804841) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID107804841
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(CNc1ccc2ncsc2c1)COCc1cccs1
InChIInChI=1S/C15H16N2O2S2/c18-12(8-19-9-13-2-1-5-20-13)7-16-11-3-4-14-15(6-11)21-10-17-14/h1-6,10,12,16,18H,7-9H2
InChIKeyRPFYZQLRZKSVQD-UHFFFAOYSA-N
XLogP3.35
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-3-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 82860841
1-(3-chloroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60896435
1-(3-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60899650
3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
1-(1,3-benzothiazol-6-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 107804842
1-(4-fluoro-2-iodoanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 79769188
1-(5-chloro-2-fluoroanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60910138
1-(2,2-dimethylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61167409
1-(2-methoxyanilino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60898787
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 107804841) is 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(CNc1ccc2ncsc2c1)COCc1cccs1.
What is the InChIKey of 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is RPFYZQLRZKSVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-12(8-19-9-13-2-1-5-20-13)7-16-11-3-4-14-15(6-11)21-10-17-14/h1-6,10,12,16,18H,7-9H2.
What are the key properties of 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 320.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-ylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 107804841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).