2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide

C13H13ClN2O2S — CID 133167285

IUPAC2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2sc(Cl)nc2c1
InChIInChI=1S/C13H13ClN2O2S/c14-13-16-10-6-8(3-4-11(10)19-13)12(17)15-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H,15,17)
InChIKeyYERHLAKNARBGEG-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide

2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide (PubChem CID 133167285) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
PubChem CID133167285
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc2sc(Cl)nc2c1
InChIInChI=1S/C13H13ClN2O2S/c14-13-16-10-6-8(3-4-11(10)19-13)12(17)15-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H,15,17)
InChIKeyYERHLAKNARBGEG-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide 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

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 100786908
2-chloro-N-cyclopentyl-1,3-benzothiazole-5-carboxamide
CID 100786731
(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 41094711
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
2-[(4-chlorophenyl)methyl]-N-[[(2R)-oxan-2-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25458503
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
N-(oxolan-2-ylmethyl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765626
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299
2-chloro-N-[[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]methyl]-N-methyl-1,3-benzothiazole-5-carboxamide
CID 133167300
1-[(5-chloro-1,3-benzothiazol-2-yl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 119129959
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide (CID 133167285) is 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide is O=C(NCC1CCCO1)c1ccc2sc(Cl)nc2c1.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
The InChIKey is YERHLAKNARBGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-13-16-10-6-8(3-4-11(10)19-13)12(17)15-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H,15,17).
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide?
2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 133167285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).