2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide

C13H16N4O2S — CID 106236061

IUPAC2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H16N4O2S/c14-11(18)3-1-2-6-16-12(19)8-4-5-9-10(7-8)20-13(15)17-9/h4-5,7H,1-3,6H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyUOHAVKLCYDXTMV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 106236061) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
PubChem CID106236061
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
SMILESNC(=O)CCCCNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H16N4O2S/c14-11(18)3-1-2-6-16-12(19)8-4-5-9-10(7-8)20-13(15)17-9/h4-5,7H,1-3,6H2,(H2,14,18)(H2,15,17)(H,16,19)
InChIKeyUOHAVKLCYDXTMV-UHFFFAOYSA-N
XLogP1.26
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 106310864
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 65349253
2-amino-N-(2-morpholin-4-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 60636910
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide (CID 106236061) is 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide is NC(=O)CCCCNC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is UOHAVKLCYDXTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-11(18)3-1-2-6-16-12(19)8-4-5-9-10(7-8)20-13(15)17-9/h4-5,7H,1-3,6H2,(H2,14,18)(H2,15,17)(H,16,19).
What are the key properties of 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 106236061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).