5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine

C12H16N2OS — CID 82549825

IUPAC5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(N)nc2c1OC(C)C
InChIInChI=1S/C12H16N2OS/c1-6(2)15-10-7(3)5-8(4)11-9(10)14-12(13)16-11/h5-6H,1-4H3,(H2,13,14)
InChIKeyFBGXOULZQSELEP-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.28
Rot. Bonds2

About 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine

5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine (PubChem CID 82549825) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
PubChem CID82549825
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
SMILESCc1cc(C)c2sc(N)nc2c1OC(C)C
InChIInChI=1S/C12H16N2OS/c1-6(2)15-10-7(3)5-8(4)11-9(10)14-12(13)16-11/h5-6H,1-4H3,(H2,13,14)
InChIKeyFBGXOULZQSELEP-UHFFFAOYSA-N
XLogP3.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
5,7-dimethyl-8-propan-2-yloxyquinoline
CID 143619091
3-chloro-2,5-dimethyl-6-propan-2-yloxyaniline
CID 82266805
7-iodo-4-methyl-1,3-benzothiazol-2-amine
CID 130498154
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 170676483
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
CID 89301281
CID 89301281
5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
2,4-dimethyl-5-propan-2-yloxyaniline;methanol
CID 167518125
ethane;1,3,5-trimethyl-2-propan-2-yloxybenzene
CID 142216481
4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
CID 167162170

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine (CID 82549825) is 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine is Cc1cc(C)c2sc(N)nc2c1OC(C)C.
What is the InChIKey of 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine?
The InChIKey is FBGXOULZQSELEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-6(2)15-10-7(3)5-8(4)11-9(10)14-12(13)16-11/h5-6H,1-4H3,(H2,13,14).
What are the key properties of 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine?
5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).