2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol

C8H7ClN2OS — CID 138714330

IUPAC2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
SMILESCc1c(Cl)cc2sc(N)nc2c1O
InChIInChI=1S/C8H7ClN2OS/c1-3-4(9)2-5-6(7(3)12)11-8(10)13-5/h2,12H,1H3,(H2,10,11)
InChIKeyRIOVOZJSZRQYBF-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.55
Rot. Bonds

About 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol

2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol (PubChem CID 138714330) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
PubChem CID138714330
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
SMILESCc1c(Cl)cc2sc(N)nc2c1O
InChIInChI=1S/C8H7ClN2OS/c1-3-4(9)2-5-6(7(3)12)11-8(10)13-5/h2,12H,1H3,(H2,10,11)
InChIKeyRIOVOZJSZRQYBF-UHFFFAOYSA-N
XLogP2.55
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol?
The IUPAC name of 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol (CID 138714330) is 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol is Cc1c(Cl)cc2sc(N)nc2c1O.
What is the InChIKey of 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol?
The InChIKey is RIOVOZJSZRQYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-3-4(9)2-5-6(7(3)12)11-8(10)13-5/h2,12H,1H3,(H2,10,11).
What are the key properties of 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol?
2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol has a molecular weight of 214.68 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol is sourced from PubChem (CID 138714330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).