2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine

C28H47N9O8S — CID 159024026

IUPAC2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine
SMILESCNC.CNC(=O)c1ccc2nc(NC(C)=O)sc2c1.CNC(=O)c1cnc(NC(C)=O)o1.CNC(C)=O.CNC(C)=O.COC
InChIInChI=1S/C11H11N3O2S.C7H9N3O3.2C3H7NO.C2H7N.C2H6O/c1-6(15)13-11-14-8-4-3-7(10(16)12-2)5-9(8)17-11;1-4(11)10-7-9-3-5(13-7)6(12)8-2;2*1-3(5)4-2;2*1-3-2/h3-5H,1-2H3,(H,12,16)(H,13,14,15);3H,1-2H3,(H,8,12)(H,9,10,11);2*1-2H3,(H,4,5);3H,1-2H3;1-2H3
InChIKeyJUBJJMWIOPQNQY-UHFFFAOYSA-N
MW669.81 g/mol
LogP1.21
Rot. Bonds4

About 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine

2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine (PubChem CID 159024026) has the molecular formula C28H47N9O8S and a molecular weight of 669.81 g/mol. Its IUPAC name is 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine.

Molecular Properties

Compound Name2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine
PubChem CID159024026
Molecular FormulaC28H47N9O8S
Molecular Weight669.81 g/mol
Exact Mass669.33
IUPAC Name2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine
SMILESCNC.CNC(=O)c1ccc2nc(NC(C)=O)sc2c1.CNC(=O)c1cnc(NC(C)=O)o1.CNC(C)=O.CNC(C)=O.COC
InChIInChI=1S/C11H11N3O2S.C7H9N3O3.2C3H7NO.C2H7N.C2H6O/c1-6(15)13-11-14-8-4-3-7(10(16)12-2)5-9(8)17-11;1-4(11)10-7-9-3-5(13-7)6(12)8-2;2*1-3(5)4-2;2*1-3-2/h3-5H,1-2H3,(H,12,16)(H,13,14,15);3H,1-2H3,(H,8,12)(H,9,10,11);2*1-2H3,(H,4,5);3H,1-2H3;1-2H3
InChIKeyJUBJJMWIOPQNQY-UHFFFAOYSA-N
XLogP1.21
TPSA234.78 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500669.81
LogP ≤ 51.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine with MolForge

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Related Compounds

2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
propan-2-yl 2-acetamido-1,3-benzothiazole-6-carboxylate
CID 15103757
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 55768753
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 45497418
N-[2-[(3,5-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,5-dimethoxybenzamide
CID 2332353

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine?
The IUPAC name of 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine (CID 159024026) is 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine.
What is the SMILES notation for 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine?
The canonical SMILES for 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine is CNC.CNC(=O)c1ccc2nc(NC(C)=O)sc2c1.CNC(=O)c1cnc(NC(C)=O)o1.CNC(C)=O.CNC(C)=O.COC.
What is the InChIKey of 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine?
The InChIKey is JUBJJMWIOPQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S.C7H9N3O3.2C3H7NO.C2H7N.C2H6O/c1-6(15)13-11-14-8-4-3-7(10(16)12-2)5-9(8)17-11;1-4(11)10-7-9-3-5(13-7)6(12)8-2;2*1-3(5)4-2;2*1-3-2/h3-5H,1-2H3,(H,12,16)(H,13,14,15);3H,1-2H3,(H,8,12)(H,9,10,11);2*1-2H3,(H,4,5);3H,1-2H3;1-2H3.
What are the key properties of 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine?
2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine has a molecular weight of 669.81 g/mol, XLogP of 1.21, 4 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-1,3-benzothiazole-6-carboxamide;2-acetamido-N-methyl-1,3-oxazole-5-carboxamide;methoxymethane;bis(N-methylacetamide);N-methylmethanamine is sourced from PubChem (CID 159024026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).