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

C14H19N3OS — CID 103461431

IUPAC2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H19N3OS/c1-4-14(2,3)8-16-12(18)9-5-6-10-11(7-9)19-13(15)17-10/h5-7H,4,8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyCGVGPAXLFHZWPN-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.04
Rot. Bonds4

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

2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 103461431) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
PubChem CID103461431
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide
SMILESCCC(C)(C)CNC(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C14H19N3OS/c1-4-14(2,3)8-16-12(18)9-5-6-10-11(7-9)19-13(15)17-10/h5-7H,4,8H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyCGVGPAXLFHZWPN-UHFFFAOYSA-N
XLogP3.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-1,3-benzothiazole-6-carboxamide
CID 106276484
N-(2-acetamidoethyl)-2-amino-1,3-benzothiazole-6-carboxamide
CID 60636547
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
2-amino-N-(4-methylpentyl)-1,3-benzothiazole-6-carboxamide
CID 65349539
2-amino-N-(5-amino-5-oxopentyl)-1,3-benzothiazole-6-carboxamide
CID 106236061
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
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
2-amino-N-(3-formamidopropyl)-1,3-benzothiazole-6-carboxamide
CID 82547182
2-amino-N-[(5-methylfuran-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349456
2-amino-N-pent-4-enyl-1,3-benzothiazole-6-carboxamide
CID 114264869

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide (CID 103461431) is 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide is CCC(C)(C)CNC(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is CGVGPAXLFHZWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-14(2,3)8-16-12(18)9-5-6-10-11(7-9)19-13(15)17-10/h5-7H,4,8H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylbutyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 103461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).