3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol

C11H14N2OS — CID 63372824

IUPAC3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNc1snc2ccccc12
InChIInChI=1S/C11H14N2OS/c1-8(7-14)6-12-11-9-4-2-3-5-10(9)13-15-11/h2-5,8,12,14H,6-7H2,1H3
InChIKeyJVWYIMMUUXQOBN-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.34
Rot. Bonds4

About 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol

3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol (PubChem CID 63372824) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol
PubChem CID63372824
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNc1snc2ccccc12
InChIInChI=1S/C11H14N2OS/c1-8(7-14)6-12-11-9-4-2-3-5-10(9)13-15-11/h2-5,8,12,14H,6-7H2,1H3
InChIKeyJVWYIMMUUXQOBN-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol (CID 63372824) is 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol is CC(CO)CNc1snc2ccccc12.
What is the InChIKey of 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol?
The InChIKey is JVWYIMMUUXQOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8(7-14)6-12-11-9-4-2-3-5-10(9)13-15-11/h2-5,8,12,14H,6-7H2,1H3.
What are the key properties of 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol?
3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol has a molecular weight of 222.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,1-benzothiazol-3-ylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 63372824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).