N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H13N3O2S2 — CID 2159233

IUPACN-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C
InChIInChI=1S/C15H13N3O2S2/c1-9(19)16-10-5-6-11-13(8-10)22-15(18(11)2)17-14(20)12-4-3-7-21-12/h3-8H,1-2H3,(H,16,19)/b17-15-
InChIKeyCXYDPIBAJSSEKA-ICFOKQHNSA-N
MW331.42 g/mol
LogP3.00
Rot. Bonds2

About N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 2159233) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID2159233
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C
InChIInChI=1S/C15H13N3O2S2/c1-9(19)16-10-5-6-11-13(8-10)22-15(18(11)2)17-14(20)12-4-3-7-21-12/h3-8H,1-2H3,(H,16,19)/b17-15-
InChIKeyCXYDPIBAJSSEKA-ICFOKQHNSA-N
XLogP3.00
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 2159233) is N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is CC(=O)Nc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C.
What is the InChIKey of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is CXYDPIBAJSSEKA-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-9(19)16-10-5-6-11-13(8-10)22-15(18(11)2)17-14(20)12-4-3-7-21-12/h3-8H,1-2H3,(H,16,19)/b17-15-.
What are the key properties of N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 2159233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).