6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine

C11H14N2OS — CID 78908950

IUPAC6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)C)sc2c1
InChIInChI=1S/C11H14N2OS/c1-7(2)12-11-13-9-5-4-8(14-3)6-10(9)15-11/h4-7H,1-3H3,(H,12,13)
InChIKeyVXORATMQCHDRMV-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.13
Rot. Bonds3

About 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine

6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 78908950) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID78908950
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)C)sc2c1
InChIInChI=1S/C11H14N2OS/c1-7(2)12-11-13-9-5-4-8(14-3)6-10(9)15-11/h4-7H,1-3H3,(H,12,13)
InChIKeyVXORATMQCHDRMV-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79513905
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516240
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106049325
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79512590
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine (CID 78908950) is 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine is COc1ccc2nc(NC(C)C)sc2c1.
What is the InChIKey of 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is VXORATMQCHDRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-7(2)12-11-13-9-5-4-8(14-3)6-10(9)15-11/h4-7H,1-3H3,(H,12,13).
What are the key properties of 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 222.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).