2-amino-4-methyl-1,3-benzothiazol-7-ol

C8H8N2OS — CID 171560062

IUPAC2-amino-4-methyl-1,3-benzothiazol-7-ol
SMILESCc1ccc(O)c2sc(N)nc12
InChIInChI=1S/C8H8N2OS/c1-4-2-3-5(11)7-6(4)10-8(9)12-7/h2-3,11H,1H3,(H2,9,10)
InChIKeyKDTRPLBIPYWQBA-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.89
Rot. Bonds

About 2-amino-4-methyl-1,3-benzothiazol-7-ol

2-amino-4-methyl-1,3-benzothiazol-7-ol (PubChem CID 171560062) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-amino-4-methyl-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-amino-4-methyl-1,3-benzothiazol-7-ol
PubChem CID171560062
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-amino-4-methyl-1,3-benzothiazol-7-ol
SMILESCc1ccc(O)c2sc(N)nc12
InChIInChI=1S/C8H8N2OS/c1-4-2-3-5(11)7-6(4)10-8(9)12-7/h2-3,11H,1H3,(H2,9,10)
InChIKeyKDTRPLBIPYWQBA-UHFFFAOYSA-N
XLogP1.89
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
7-iodo-4-methyl-1,3-benzothiazol-2-amine
CID 130498154
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
4-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-amine
CID 123800310
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
4-tert-butyl-7-methyl-1,3-benzothiazol-2-amine
CID 167162170
CID 89301281
CID 89301281
ethane;7-methyl-1,3-benzothiazol-2-amine
CID 145229786
2-amino-5-methyl-1,3-benzothiazole-4-sulfonic acid
CID 21424583
4-methyl-7-propan-2-yl-6-(tritiooxydisulfanyl)-1,3-benzothiazol-2-amine
CID 59043012
(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1,3-benzothiazol-7-ol?
The IUPAC name of 2-amino-4-methyl-1,3-benzothiazol-7-ol (CID 171560062) is 2-amino-4-methyl-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-amino-4-methyl-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-amino-4-methyl-1,3-benzothiazol-7-ol is Cc1ccc(O)c2sc(N)nc12.
What is the InChIKey of 2-amino-4-methyl-1,3-benzothiazol-7-ol?
The InChIKey is KDTRPLBIPYWQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-4-2-3-5(11)7-6(4)10-8(9)12-7/h2-3,11H,1H3,(H2,9,10).
What are the key properties of 2-amino-4-methyl-1,3-benzothiazol-7-ol?
2-amino-4-methyl-1,3-benzothiazol-7-ol has a molecular weight of 180.23 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1,3-benzothiazol-7-ol is sourced from PubChem (CID 171560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).