6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide

C11H12N2O2S — CID 119085444

IUPAC6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide
SMILESCC(C)Oc1ccc2nc(C(N)=O)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-6(2)15-7-3-4-8-9(5-7)16-11(13-8)10(12)14/h3-6H,1-2H3,(H2,12,14)
InChIKeyXZFMQYYMEOQHJN-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.18
Rot. Bonds3

About 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide

6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide (PubChem CID 119085444) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide
PubChem CID119085444
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide
SMILESCC(C)Oc1ccc2nc(C(N)=O)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-6(2)15-7-3-4-8-9(5-7)16-11(13-8)10(12)14/h3-6H,1-2H3,(H2,12,14)
InChIKeyXZFMQYYMEOQHJN-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
(2R)-2-[[(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfanylmethylidene]amino]propanoic acid
CID 71095541
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
4-[(6-propan-2-yloxy-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193020
(2-sulfamoyl-1,3-benzothiazol-6-yl) acetate
CID 13236662
6-[[(3R,6R)-6-hydroxy-2-oxa-7-thiabicyclo[4.1.0]heptan-3-yl]oxy]-1,3-benzothiazole-2-carboxamide
CID 176987099
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]propanethioic S-acid
CID 87233746
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxopropanoate
CID 22059303
(2-sulfamoyl-1,3-benzothiazol-6-yl) propanoate
CID 54242448
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 79525686
[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
CID 141094419
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide (CID 119085444) is 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide is CC(C)Oc1ccc2nc(C(N)=O)sc2c1.
What is the InChIKey of 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is XZFMQYYMEOQHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-6(2)15-7-3-4-8-9(5-7)16-11(13-8)10(12)14/h3-6H,1-2H3,(H2,12,14).
What are the key properties of 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide?
6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 119085444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).