N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide

C13H16N2O2S — CID 35591150

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C13H16N2O2S/c1-8-6-9(2)12-10(7-8)18-13(15-12)14-11(16)4-5-17-3/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZAIZPDBUUBWFOE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.89
Rot. Bonds4

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide (PubChem CID 35591150) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
PubChem CID35591150
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C13H16N2O2S/c1-8-6-9(2)12-10(7-8)18-13(15-12)14-11(16)4-5-17-3/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZAIZPDBUUBWFOE-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 3470440
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 19228149
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 26050890
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,2-dimethylpropanoate
CID 23790582
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
2,2,2-trifluoroethyl N-[3-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]carbamate
CID 60582436
2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7540712
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7544939
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17110805

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide (CID 35591150) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide is COCCC(=O)Nc1nc2c(C)cc(C)cc2s1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide?
The InChIKey is ZAIZPDBUUBWFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8-6-9(2)12-10(7-8)18-13(15-12)14-11(16)4-5-17-3/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide has a molecular weight of 264.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide is sourced from PubChem (CID 35591150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).