2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol

C10H13N3OS — CID 43450491

IUPAC2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol
SMILESCc1nc2cc(NCCO)c(N)cc2s1
InChIInChI=1S/C10H13N3OS/c1-6-13-9-5-8(12-2-3-14)7(11)4-10(9)15-6/h4-5,12,14H,2-3,11H2,1H3
InChIKeyYNFOCVFTZXXBNW-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.59
Rot. Bonds3

About 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol

2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol (PubChem CID 43450491) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol
PubChem CID43450491
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol
SMILESCc1nc2cc(NCCO)c(N)cc2s1
InChIInChI=1S/C10H13N3OS/c1-6-13-9-5-8(12-2-3-14)7(11)4-10(9)15-6/h4-5,12,14H,2-3,11H2,1H3
InChIKeyYNFOCVFTZXXBNW-UHFFFAOYSA-N
XLogP1.59
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol (CID 43450491) is 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol is Cc1nc2cc(NCCO)c(N)cc2s1.
What is the InChIKey of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol?
The InChIKey is YNFOCVFTZXXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6-13-9-5-8(12-2-3-14)7(11)4-10(9)15-6/h4-5,12,14H,2-3,11H2,1H3.
What are the key properties of 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol?
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol has a molecular weight of 223.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]ethanol is sourced from PubChem (CID 43450491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).