5-propan-2-yloxy-1,3-benzothiazol-4-amine

C10H12N2OS — CID 43451523

IUPAC5-propan-2-yloxy-1,3-benzothiazol-4-amine
SMILESCC(C)Oc1ccc2scnc2c1N
InChIInChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-10(9(7)11)12-5-14-8/h3-6H,11H2,1-2H3
InChIKeyBDUSPHLQFJAMFT-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.67
Rot. Bonds2

About 5-propan-2-yloxy-1,3-benzothiazol-4-amine

5-propan-2-yloxy-1,3-benzothiazol-4-amine (PubChem CID 43451523) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-propan-2-yloxy-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yloxy-1,3-benzothiazol-4-amine
PubChem CID43451523
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-propan-2-yloxy-1,3-benzothiazol-4-amine
SMILESCC(C)Oc1ccc2scnc2c1N
InChIInChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-10(9(7)11)12-5-14-8/h3-6H,11H2,1-2H3
InChIKeyBDUSPHLQFJAMFT-UHFFFAOYSA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzothiazol-4-amine
CID 112587112
5-(3-methoxy-3-methylbutoxy)-1,3-benzothiazol-4-amine
CID 106664938
5-(2-propoxyphenoxy)-1,3-benzothiazol-4-amine
CID 43451511
5-[2-(3-methoxypropoxy)ethoxy]-1,3-benzothiazol-4-amine
CID 103176807
5-(3,4-dimethylcyclohexyl)oxy-1,3-benzothiazol-4-amine
CID 64744714
5-(3,4-difluorophenoxy)-1,3-benzothiazol-4-amine
CID 43554637
5-(3-propan-2-ylpyrazol-1-yl)-1,3-benzothiazol-4-amine
CID 55078682
5-(oxolan-3-ylmethoxy)-1,3-benzothiazol-4-amine
CID 54976846
5-ethylsulfonyl-1,3-benzothiazol-4-amine
CID 43451183
5-N-(1-cyclopropylpropan-2-yl)-1,3-benzothiazole-4,5-diamine
CID 63990337
5-N-methyl-5-N-propyl-1,3-benzothiazole-4,5-diamine
CID 43451418
5-N-(4-ethoxyphenyl)-1,3-benzothiazole-4,5-diamine
CID 43451301

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1,3-benzothiazol-4-amine?
The IUPAC name of 5-propan-2-yloxy-1,3-benzothiazol-4-amine (CID 43451523) is 5-propan-2-yloxy-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-propan-2-yloxy-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-propan-2-yloxy-1,3-benzothiazol-4-amine is CC(C)Oc1ccc2scnc2c1N.
What is the InChIKey of 5-propan-2-yloxy-1,3-benzothiazol-4-amine?
The InChIKey is BDUSPHLQFJAMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-10(9(7)11)12-5-14-8/h3-6H,11H2,1-2H3.
What are the key properties of 5-propan-2-yloxy-1,3-benzothiazol-4-amine?
5-propan-2-yloxy-1,3-benzothiazol-4-amine has a molecular weight of 208.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).