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

C13H17N3O2S — CID 65349262

IUPAC2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOCCCN(C)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H17N3O2S/c1-16(6-3-7-18-2)12(17)9-4-5-10-11(8-9)19-13(14)15-10/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15)
InChIKeyCTOOXZCRJYCAPY-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.99
Rot. Bonds5

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

2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 65349262) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID65349262
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOCCCN(C)C(=O)c1ccc2nc(N)sc2c1
InChIInChI=1S/C13H17N3O2S/c1-16(6-3-7-18-2)12(17)9-4-5-10-11(8-9)19-13(14)15-10/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15)
InChIKeyCTOOXZCRJYCAPY-UHFFFAOYSA-N
XLogP1.99
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-1,3-benzothiazole-6-carbonyl)-methylamino]propanoic acid
CID 65349258
2-methoxyethyl 2-amino-1,3-benzothiazole-6-carboxylate
CID 3147262
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617
2-amino-N-(cyclopropylmethyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349726
2-amino-N-methyl-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 60668647
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
2-amino-N-ethyl-N-(2-hydroxyethyl)-1,3-benzothiazole-6-carboxamide
CID 60655382
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 60657186
2-amino-N-pentyl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349489
2-amino-N,N-bis(2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 60655171
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide (CID 65349262) is 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide is COCCCN(C)C(=O)c1ccc2nc(N)sc2c1.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is CTOOXZCRJYCAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-16(6-3-7-18-2)12(17)9-4-5-10-11(8-9)19-13(14)15-10/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide?
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 65349262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).