1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol

C11H13ClN2OS — CID 66002968

IUPAC1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2OS/c1-11(15,6-13)5-10-14-8-4-7(12)2-3-9(8)16-10/h2-4,15H,5-6,13H2,1H3
InChIKeyLCASPSRXBUSNSQ-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.20
Rot. Bonds3

About 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol

1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol (PubChem CID 66002968) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
PubChem CID66002968
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C11H13ClN2OS/c1-11(15,6-13)5-10-14-8-4-7(12)2-3-9(8)16-10/h2-4,15H,5-6,13H2,1H3
InChIKeyLCASPSRXBUSNSQ-UHFFFAOYSA-N
XLogP2.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol (CID 66002968) is 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
The InChIKey is LCASPSRXBUSNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-11(15,6-13)5-10-14-8-4-7(12)2-3-9(8)16-10/h2-4,15H,5-6,13H2,1H3.
What are the key properties of 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol?
1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol has a molecular weight of 256.76 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66002968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).