2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol

C11H14N2OS2 — CID 138714038

IUPAC2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol
SMILESCC(C)(C)Sc1cc(O)c2nc(N)sc2c1
InChIInChI=1S/C11H14N2OS2/c1-11(2,3)16-6-4-7(14)9-8(5-6)15-10(12)13-9/h4-5,14H,1-3H3,(H2,12,13)
InChIKeyKNTXOMQIKQRYHD-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.47
Rot. Bonds1

About 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol

2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol (PubChem CID 138714038) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol
PubChem CID138714038
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol
SMILESCC(C)(C)Sc1cc(O)c2nc(N)sc2c1
InChIInChI=1S/C11H14N2OS2/c1-11(2,3)16-6-4-7(14)9-8(5-6)15-10(12)13-9/h4-5,14H,1-3H3,(H2,12,13)
InChIKeyKNTXOMQIKQRYHD-UHFFFAOYSA-N
XLogP3.47
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol?
The IUPAC name of 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol (CID 138714038) is 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol is CC(C)(C)Sc1cc(O)c2nc(N)sc2c1.
What is the InChIKey of 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol?
The InChIKey is KNTXOMQIKQRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-11(2,3)16-6-4-7(14)9-8(5-6)15-10(12)13-9/h4-5,14H,1-3H3,(H2,12,13).
What are the key properties of 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol?
2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol has a molecular weight of 254.38 g/mol, XLogP of 3.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butylsulfanyl-1,3-benzothiazol-4-ol is sourced from PubChem (CID 138714038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).