N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide

C14H10BrN3O2S2 — CID 55769726

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)s3)cc2s1
InChIInChI=1S/C14H10BrN3O2S2/c1-7(19)16-14-18-9-3-2-8(6-11(9)22-14)17-13(20)10-4-5-12(15)21-10/h2-6H,1H3,(H,17,20)(H,16,18,19)
InChIKeyCTQIVWBPDJPSCP-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.33
Rot. Bonds3

About N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide (PubChem CID 55769726) has the molecular formula C14H10BrN3O2S2 and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
PubChem CID55769726
Molecular FormulaC14H10BrN3O2S2
Molecular Weight396.29 g/mol
Exact Mass394.94
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)s3)cc2s1
InChIInChI=1S/C14H10BrN3O2S2/c1-7(19)16-14-18-9-3-2-8(6-11(9)22-14)17-13(20)10-4-5-12(15)21-10/h2-6H,1H3,(H,17,20)(H,16,18,19)
InChIKeyCTQIVWBPDJPSCP-UHFFFAOYSA-N
XLogP4.33
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(6-acetamido-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 55832504
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
5-bromo-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 20932194
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-bromo-1-methylindole-2-carboxamide
CID 55970996
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
N-(2-acetamido-1,3-benzothiazol-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 51090475
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide (CID 55769726) is N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)s3)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide?
The InChIKey is CTQIVWBPDJPSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2S2/c1-7(19)16-14-18-9-3-2-8(6-11(9)22-14)17-13(20)10-4-5-12(15)21-10/h2-6H,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 55769726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).