4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine

C12H16N2O2S — CID 82105841

IUPAC4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(NC(C)C)sc2c1
InChIInChI=1S/C12H16N2O2S/c1-7(2)13-12-14-11-9(16-4)5-8(15-3)6-10(11)17-12/h5-7H,1-4H3,(H,13,14)
InChIKeyGPJQFDUGHCZCSI-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.13
Rot. Bonds4

About 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine

4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 82105841) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID82105841
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(NC(C)C)sc2c1
InChIInChI=1S/C12H16N2O2S/c1-7(2)13-12-14-11-9(16-4)5-8(15-3)6-10(11)17-12/h5-7H,1-4H3,(H,13,14)
InChIKeyGPJQFDUGHCZCSI-UHFFFAOYSA-N
XLogP3.13
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 43968677
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine (CID 82105841) is 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine is COc1cc(OC)c2nc(NC(C)C)sc2c1.
What is the InChIKey of 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is GPJQFDUGHCZCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-7(2)13-12-14-11-9(16-4)5-8(15-3)6-10(11)17-12/h5-7H,1-4H3,(H,13,14).
What are the key properties of 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine?
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 252.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82105841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).