5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol

C11H11ClN2OS — CID 175964104

IUPAC5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
SMILESOC1CNC(c2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C11H11ClN2OS/c12-6-1-2-10-8(3-6)14-11(16-10)9-4-7(15)5-13-9/h1-3,7,9,13,15H,4-5H2
InChIKeyHTGHBMJDCAZSDG-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.35
Rot. Bonds1

About 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol

5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol (PubChem CID 175964104) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
PubChem CID175964104
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
SMILESOC1CNC(c2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C11H11ClN2OS/c12-6-1-2-10-8(3-6)14-11(16-10)9-4-7(15)5-13-9/h1-3,7,9,13,15H,4-5H2
InChIKeyHTGHBMJDCAZSDG-UHFFFAOYSA-N
XLogP2.35
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 175964108
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887
2-(5-chloro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 43100553
tert-butyl (2S,4R)-2-(5-chloro-1,3-benzothiazol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 175964099
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
(3R,5S)-5-[2-(2,5-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 131890993
4-(5-chloro-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
CID 66253450
5-chloro-2-(1-cyclohex-2-en-1-ylpiperidin-4-yl)-1,3-benzothiazole
CID 56513636
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol (CID 175964104) is 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol is OC1CNC(c2nc3cc(Cl)ccc3s2)C1.
What is the InChIKey of 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
The InChIKey is HTGHBMJDCAZSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c12-6-1-2-10-8(3-6)14-11(16-10)9-4-7(15)5-13-9/h1-3,7,9,13,15H,4-5H2.
What are the key properties of 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol?
5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol has a molecular weight of 254.74 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 175964104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).