6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine

C13H15ClN2OS — CID 114114194

IUPAC6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine
SMILESCC1(Nc2nc3ccc(Cl)cc3s2)CCCOC1
InChIInChI=1S/C13H15ClN2OS/c1-13(5-2-6-17-8-13)16-12-15-10-4-3-9(14)7-11(10)18-12/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyZOEXPRBTOQXSGZ-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.93
Rot. Bonds2

About 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine

6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 114114194) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine
PubChem CID114114194
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine
SMILESCC1(Nc2nc3ccc(Cl)cc3s2)CCCOC1
InChIInChI=1S/C13H15ClN2OS/c1-13(5-2-6-17-8-13)16-12-15-10-4-3-9(14)7-11(10)18-12/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)
InChIKeyZOEXPRBTOQXSGZ-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 113491209
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 104763243
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(6-chloro-1,3-benzothiazol-2-yl)morpholin-4-amine
CID 83018453
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
3-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-3,4-diamine;dihydrochloride
CID 122438812
(3R,4S)-3-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-3,4-diamine;dihydrochloride
CID 122438810
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 63132685

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine (CID 114114194) is 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine is CC1(Nc2nc3ccc(Cl)cc3s2)CCCOC1.
What is the InChIKey of 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ZOEXPRBTOQXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-13(5-2-6-17-8-13)16-12-15-10-4-3-9(14)7-11(10)18-12/h3-4,7H,2,5-6,8H2,1H3,(H,15,16).
What are the key properties of 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 282.80 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114114194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).