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

C13H17ClN2OS — CID 79525887

IUPAC6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
SMILESCOCC(Nc1nc2ccc(Cl)cc2s1)C(C)C
InChIInChI=1S/C13H17ClN2OS/c1-8(2)11(7-17-3)16-13-15-10-5-4-9(14)6-12(10)18-13/h4-6,8,11H,7H2,1-3H3,(H,15,16)
InChIKeyWABXTOPRGVFVIK-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.03
Rot. Bonds5

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

6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 79525887) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID79525887
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
SMILESCOCC(Nc1nc2ccc(Cl)cc2s1)C(C)C
InChIInChI=1S/C13H17ClN2OS/c1-8(2)11(7-17-3)16-13-15-10-5-4-9(14)6-12(10)18-13/h4-6,8,11H,7H2,1-3H3,(H,15,16)
InChIKeyWABXTOPRGVFVIK-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
6-chloro-N-(4-phenylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 79526366
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79526067
6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020
6-chloro-N-[1-(furan-2-yl)propan-2-yl]-1,3-benzothiazol-2-amine
CID 79525693
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 79525686
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine (CID 79525887) is 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine is COCC(Nc1nc2ccc(Cl)cc2s1)C(C)C.
What is the InChIKey of 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is WABXTOPRGVFVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-8(2)11(7-17-3)16-13-15-10-5-4-9(14)6-12(10)18-13/h4-6,8,11H,7H2,1-3H3,(H,15,16).
What are the key properties of 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 284.81 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79525887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).