2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide

C13H13N5OS — CID 65349253

IUPAC2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCCn3ccnc3)cc2s1
InChIInChI=1S/C13H13N5OS/c14-13-17-10-2-1-9(7-11(10)20-13)12(19)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H2,14,17)(H,16,19)
InChIKeyDDFMJPNSFKMLKE-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 65349253) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID65349253
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)NCCn3ccnc3)cc2s1
InChIInChI=1S/C13H13N5OS/c14-13-17-10-2-1-9(7-11(10)20-13)12(19)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H2,14,17)(H,16,19)
InChIKeyDDFMJPNSFKMLKE-UHFFFAOYSA-N
XLogP1.50
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
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2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
3-(N'-hydroxycarbamimidoyl)-N-(2-imidazol-1-ylethyl)benzamide
CID 76904561
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide (CID 65349253) is 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)NCCn3ccnc3)cc2s1.
What is the InChIKey of 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is DDFMJPNSFKMLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c14-13-17-10-2-1-9(7-11(10)20-13)12(19)16-4-6-18-5-3-15-8-18/h1-3,5,7-8H,4,6H2,(H2,14,17)(H,16,19).
What are the key properties of 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).