(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid

C8H6N2O3S — CID 87123446

IUPAC(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C8H6N2O3S/c11-4-1-2-5-6(3-4)14-7(9-5)10-8(12)13/h1-3,11H,(H,9,10)(H,12,13)
InChIKeyPOZGLEDLBCPBGE-UHFFFAOYSA-N
MW210.21 g/mol
LogP2.09
Rot. Bonds1

About (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid

(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid (PubChem CID 87123446) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
PubChem CID87123446
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid
SMILESO=C(O)Nc1nc2ccc(O)cc2s1
InChIInChI=1S/C8H6N2O3S/c11-4-1-2-5-6(3-4)14-7(9-5)10-8(12)13/h1-3,11H,(H,9,10)(H,12,13)
InChIKeyPOZGLEDLBCPBGE-UHFFFAOYSA-N
XLogP2.09
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
4-fluoro-N-(6-hydroxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 75154398
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
[6-[(2-bromo-4,6-dimethylphenyl)carbamoyl]-1,3-benzothiazol-2-yl]carbamic acid
CID 22634333
acetic acid;2-chloro-1,3-benzothiazol-6-ol
CID 70388805
2-(carbamoylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348728
2-(3-hydroxypropylamino)-1,3-benzothiazol-6-ol
CID 146453884
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590379
2-[(4-methylthiophene-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid
CID 79812305

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid?
The IUPAC name of (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid (CID 87123446) is (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid.
What is the SMILES notation for (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid?
The canonical SMILES for (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid is O=C(O)Nc1nc2ccc(O)cc2s1.
What is the InChIKey of (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid?
The InChIKey is POZGLEDLBCPBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c11-4-1-2-5-6(3-4)14-7(9-5)10-8(12)13/h1-3,11H,(H,9,10)(H,12,13).
What are the key properties of (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid?
(6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid has a molecular weight of 210.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,3-benzothiazol-2-yl)carbamic acid is sourced from PubChem (CID 87123446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).