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

C10H12N2S — CID 600983

IUPAC6-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1ccc2nc(N)sc2c1
InChIInChI=1S/C10H12N2S/c1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h3-6H,1-2H3,(H2,11,12)
InChIKeyJKQDAIVDZXQKCT-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.00
Rot. Bonds1

About 6-propan-2-yl-1,3-benzothiazol-2-amine

6-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 600983) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 6-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID600983
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name6-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1ccc2nc(N)sc2c1
InChIInChI=1S/C10H12N2S/c1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h3-6H,1-2H3,(H2,11,12)
InChIKeyJKQDAIVDZXQKCT-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

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-propan-2-yl-1,3-benzothiazol-2-amine (CID 600983) is 6-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-propan-2-yl-1,3-benzothiazol-2-amine is CC(C)c1ccc2nc(N)sc2c1.
What is the InChIKey of 6-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is JKQDAIVDZXQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-6(2)7-3-4-8-9(5-7)13-10(11)12-8/h3-6H,1-2H3,(H2,11,12).
What are the key properties of 6-propan-2-yl-1,3-benzothiazol-2-amine?
6-propan-2-yl-1,3-benzothiazol-2-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 6-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 600983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).