6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine

C12H13ClN2OS — CID 43969130

IUPAC6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCCO3)sc2c1
InChIInChI=1S/C12H13ClN2OS/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChIKeyLAGCRDODIZKAKV-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.54
Rot. Bonds3

About 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine

6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 43969130) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID43969130
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCCO3)sc2c1
InChIInChI=1S/C12H13ClN2OS/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)
InChIKeyLAGCRDODIZKAKV-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
5-chloro-N-(1,4-dioxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 54908439
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79072334
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114096567
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
N-(6-chloro-1,3-benzothiazol-2-yl)-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzamide
CID 43937109
4-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide
CID 2795731
6-chloro-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]quinoline-4-carbonitrile
CID 133426570

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 43969130) is 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCC3CCCO3)sc2c1.
What is the InChIKey of 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is LAGCRDODIZKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-8-3-4-10-11(6-8)17-12(15-10)14-7-9-2-1-5-16-9/h3-4,6,9H,1-2,5,7H2,(H,14,15).
What are the key properties of 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 268.77 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43969130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).