(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate

C9H8N2O3S — CID 135336697

IUPAC(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
SMILESNC(=O)OCc1nc2ccc(O)cc2s1
InChIInChI=1S/C9H8N2O3S/c10-9(13)14-4-8-11-6-2-1-5(12)3-7(6)15-8/h1-3,12H,4H2,(H2,10,13)
InChIKeyFAUOJQYCHYCVAG-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.60
Rot. Bonds2

About (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate

(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate (PubChem CID 135336697) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate.

Molecular Properties

Compound Name(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
PubChem CID135336697
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate
SMILESNC(=O)OCc1nc2ccc(O)cc2s1
InChIInChI=1S/C9H8N2O3S/c10-9(13)14-4-8-11-6-2-1-5(12)3-7(6)15-8/h1-3,12H,4H2,(H2,10,13)
InChIKeyFAUOJQYCHYCVAG-UHFFFAOYSA-N
XLogP1.60
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
[6-[3-(dimethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]methyl carbamate
CID 175564111
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57243108
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 57307039
1,3-benzothiazol-2-ylmethyl anthracene-9-carboxylate
CID 2438256
3,5-dichloro-N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]benzamide
CID 57009467
1,3-benzothiazol-2-ylmethyl 3-phenoxybenzoate
CID 7700463
1,3-benzothiazol-2-ylmethyl 2-hydroxy-4-methylbenzoate
CID 2611498
2-fluoro-1,3-benzothiazol-6-ol
CID 91882966
1,3-benzothiazol-2-ylmethyl pyridine-3-carboxylate
CID 9413481
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
CID 87123446

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate?
The IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate (CID 135336697) is (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate.
What is the SMILES notation for (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate?
The canonical SMILES for (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate is NC(=O)OCc1nc2ccc(O)cc2s1.
What is the InChIKey of (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate?
The InChIKey is FAUOJQYCHYCVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c10-9(13)14-4-8-11-6-2-1-5(12)3-7(6)15-8/h1-3,12H,4H2,(H2,10,13).
What are the key properties of (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate?
(6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate has a molecular weight of 224.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,3-benzothiazol-2-yl)methyl carbamate is sourced from PubChem (CID 135336697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).