2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide

C9H8N4O2S — CID 79195134

IUPAC2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C9H8N4O2S/c10-8(15)13-7(14)4-1-2-5-6(3-4)16-9(11)12-5/h1-3H,(H2,11,12)(H3,10,13,14,15)
InChIKeyAEEMYQMTPCRBAM-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.69
Rot. Bonds1

About 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide

2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide (PubChem CID 79195134) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
PubChem CID79195134
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)NC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C9H8N4O2S/c10-8(15)13-7(14)4-1-2-5-6(3-4)16-9(11)12-5/h1-3H,(H2,11,12)(H3,10,13,14,15)
InChIKeyAEEMYQMTPCRBAM-UHFFFAOYSA-N
XLogP0.69
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
2-amino-N-pyrimidin-2-yl-1,3-benzothiazole-6-carboxamide
CID 60719150
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
2-amino-N-(diaminomethylidene)-1,3-benzothiazole-6-carboxamide
CID 15290270
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide (CID 79195134) is 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide is NC(=O)NC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is AEEMYQMTPCRBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c10-8(15)13-7(14)4-1-2-5-6(3-4)16-9(11)12-5/h1-3H,(H2,11,12)(H3,10,13,14,15).
What are the key properties of 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide?
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 79195134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).