2-propan-2-yl-1,3-benzothiazol-4-amine

C10H12N2S — CID 83818222

IUPAC2-propan-2-yl-1,3-benzothiazol-4-amine
SMILESCC(C)c1nc2c(N)cccc2s1
InChIInChI=1S/C10H12N2S/c1-6(2)10-12-9-7(11)4-3-5-8(9)13-10/h3-6H,11H2,1-2H3
InChIKeyLXKPRJVVFIWGQS-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.00
Rot. Bonds1

About 2-propan-2-yl-1,3-benzothiazol-4-amine

2-propan-2-yl-1,3-benzothiazol-4-amine (PubChem CID 83818222) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-1,3-benzothiazol-4-amine
PubChem CID83818222
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name2-propan-2-yl-1,3-benzothiazol-4-amine
SMILESCC(C)c1nc2c(N)cccc2s1
InChIInChI=1S/C10H12N2S/c1-6(2)10-12-9-7(11)4-3-5-8(9)13-10/h3-6H,11H2,1-2H3
InChIKeyLXKPRJVVFIWGQS-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-di(propan-2-yl)-1,3-benzothiazole;thiohydroxylamine
CID 19850946
3-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propan-1-amine
CID 82190183
2-propan-2-yl-4-pyrrolidin-1-yl-1,3-benzothiazole
CID 170688104
2-(2-propan-2-yl-1,3-benzothiazol-4-yl)acetonitrile
CID 84784894
2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propanoic acid
CID 82190178
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
2-(1-chloroethyl)-4-methyl-1,3-benzothiazole
CID 79022387
4-(piperidin-4-ylmethyl)-2-propan-2-yl-1,3-benzothiazole
CID 117439002
2-methyl-2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propanoic acid
CID 82190180
2-pentyl-1,3-benzothiazol-4-amine
CID 69228766
4-piperidin-2-yl-2-propan-2-yl-1,3-benzothiazole
CID 117405777
4-[(2-butan-2-yl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190245

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-benzothiazol-4-amine?
The IUPAC name of 2-propan-2-yl-1,3-benzothiazol-4-amine (CID 83818222) is 2-propan-2-yl-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-propan-2-yl-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-propan-2-yl-1,3-benzothiazol-4-amine is CC(C)c1nc2c(N)cccc2s1.
What is the InChIKey of 2-propan-2-yl-1,3-benzothiazol-4-amine?
The InChIKey is LXKPRJVVFIWGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-6(2)10-12-9-7(11)4-3-5-8(9)13-10/h3-6H,11H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-benzothiazol-4-amine?
2-propan-2-yl-1,3-benzothiazol-4-amine has a molecular weight of 192.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 83818222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).