2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide

C13H16N4O2S — CID 106276484

IUPAC2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(CNC(=O)c1ccc2nc(N)sc2c1)C(N)=O
InChIInChI=1S/C13H16N4O2S/c1-13(2,11(14)19)6-16-10(18)7-3-4-8-9(5-7)20-12(15)17-8/h3-5H,6H2,1-2H3,(H2,14,19)(H2,15,17)(H,16,18)
InChIKeyFRYYCXAYRIZUJS-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.12
Rot. Bonds4

About 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 106276484) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
PubChem CID106276484
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(C)(CNC(=O)c1ccc2nc(N)sc2c1)C(N)=O
InChIInChI=1S/C13H16N4O2S/c1-13(2,11(14)19)6-16-10(18)7-3-4-8-9(5-7)20-12(15)17-8/h3-5H,6H2,1-2H3,(H2,14,19)(H2,15,17)(H,16,18)
InChIKeyFRYYCXAYRIZUJS-UHFFFAOYSA-N
XLogP1.12
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
CID 103461431
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869
2-amino-N-[(1-methylcyclopentyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349363
4-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-4-methylpentanoic acid
CID 65349116
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide (CID 106276484) is 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide is CC(C)(CNC(=O)c1ccc2nc(N)sc2c1)C(N)=O.
What is the InChIKey of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is FRYYCXAYRIZUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2,11(14)19)6-16-10(18)7-3-4-8-9(5-7)20-12(15)17-8/h3-5H,6H2,1-2H3,(H2,14,19)(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 106276484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).