6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide

C11H11BrN2OS — CID 69184114

IUPAC6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide
SMILESCC(C)NC(=O)c1nsc2cc(Br)ccc12
InChIInChI=1S/C11H11BrN2OS/c1-6(2)13-11(15)10-8-4-3-7(12)5-9(8)16-14-10/h3-6H,1-2H3,(H,13,15)
InChIKeyHFDJQJNIJWZKBV-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.20
Rot. Bonds2

About 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide

6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide (PubChem CID 69184114) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide
PubChem CID69184114
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide
SMILESCC(C)NC(=O)c1nsc2cc(Br)ccc12
InChIInChI=1S/C11H11BrN2OS/c1-6(2)13-11(15)10-8-4-3-7(12)5-9(8)16-14-10/h3-6H,1-2H3,(H,13,15)
InChIKeyHFDJQJNIJWZKBV-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-4-hydroxy-6-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 108803932
(5-bromo-1,2-benzothiazol-3-yl)methanol;methyl 5-bromo-1,2-benzothiazole-3-carboxylate
CID 157420920
N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
3-amino-6-bromo-N-(4-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114908078
3-amino-6-bromo-N-(3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114907732
(6-bromonaphthalen-2-yl) N-propan-2-ylcarbamate
CID 3678098
4-hydroxy-7-phenylsulfanyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 69068155
3-amino-6-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 114907990
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide (CID 69184114) is 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide is CC(C)NC(=O)c1nsc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
The InChIKey is HFDJQJNIJWZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-6(2)13-11(15)10-8-4-3-7(12)5-9(8)16-14-10/h3-6H,1-2H3,(H,13,15).
What are the key properties of 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide?
6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide has a molecular weight of 299.19 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propan-2-yl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 69184114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).