3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol

C15H18N2OS — CID 79818587

IUPAC3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2nc3ccccc3s2)CCN(C2CC2)C1
InChIInChI=1S/C15H18N2OS/c18-15(7-8-17(10-15)11-5-6-11)9-14-16-12-3-1-2-4-13(12)19-14/h1-4,11,18H,5-10H2
InChIKeyPELORDGJJAIPFI-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.44
Rot. Bonds3

About 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol

3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol (PubChem CID 79818587) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
PubChem CID79818587
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
SMILESOC1(Cc2nc3ccccc3s2)CCN(C2CC2)C1
InChIInChI=1S/C15H18N2OS/c18-15(7-8-17(10-15)11-5-6-11)9-14-16-12-3-1-2-4-13(12)19-14/h1-4,11,18H,5-10H2
InChIKeyPELORDGJJAIPFI-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-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-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
4-(2-aminoethyl)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 136561002
1-(1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylcyclohexan-1-ol
CID 141093200
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
CID 116539918
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
3-(1,3-benzothiazol-2-ylmethyl)-1,1-dioxothiolane-3-carboxylic acid
CID 104632352
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
2-(4,7-diazatricyclo[6.2.0.01,4]decan-7-ylmethyl)-1,3-benzothiazole
CID 163732735

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol (CID 79818587) is 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol is OC1(Cc2nc3ccccc3s2)CCN(C2CC2)C1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol?
The InChIKey is PELORDGJJAIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(7-8-17(10-15)11-5-6-11)9-14-16-12-3-1-2-4-13(12)19-14/h1-4,11,18H,5-10H2.
What are the key properties of 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol?
3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol has a molecular weight of 274.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol is sourced from PubChem (CID 79818587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).