5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide

C16H15N3O2S2 — CID 24611300

IUPAC5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)s1
InChIInChI=1S/C16H15N3O2S2/c1-10(20)17-14-8-7-13(23-14)16(21)19(2)9-15-18-11-5-3-4-6-12(11)22-15/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyAWIVIXWPWAXMRJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.59
Rot. Bonds4

About 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide

5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide (PubChem CID 24611300) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
PubChem CID24611300
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)s1
InChIInChI=1S/C16H15N3O2S2/c1-10(20)17-14-8-7-13(23-14)16(21)19(2)9-15-18-11-5-3-4-6-12(11)22-15/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeyAWIVIXWPWAXMRJ-UHFFFAOYSA-N
XLogP3.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135886880
N-(1,3-benzothiazol-2-ylmethyl)-N,5-dimethyl-4-propylthiophene-2-carboxamide
CID 18117561
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 31748019
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70760810
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9393692
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide (CID 24611300) is 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)s1.
What is the InChIKey of 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is AWIVIXWPWAXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10(20)17-14-8-7-13(23-14)16(21)19(2)9-15-18-11-5-3-4-6-12(11)22-15/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide?
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 24611300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).