N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine

C11H12N2OS — CID 78908963

IUPACN-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CC3)sc2c1
InChIInChI=1S/C11H12N2OS/c1-14-8-4-5-9-10(6-8)15-11(13-9)12-7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyLBAOEEUDYQTIKG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.88
Rot. Bonds3

About N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine

N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 78908963) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID78908963
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC3CC3)sc2c1
InChIInChI=1S/C11H12N2OS/c1-14-8-4-5-9-10(6-8)15-11(13-9)12-7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyLBAOEEUDYQTIKG-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-(3,5-dimethylcyclohexyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518457
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(1,1-dioxothian-3-yl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519118
6-methoxy-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 71628391
6-methoxy-N-(2-methylcycloheptyl)-1,3-benzothiazol-2-amine
CID 79518605
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-(2-cyclopentylethyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79519168

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine (CID 78908963) is N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NC3CC3)sc2c1.
What is the InChIKey of N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is LBAOEEUDYQTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-8-4-5-9-10(6-8)15-11(13-9)12-7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine?
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).