5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide

C18H15BrN2OS — CID 112525640

IUPAC5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc2cc(NC(=O)C3Cc4ccc(Br)cc4C3)ccc2s1
InChIInChI=1S/C18H15BrN2OS/c1-10-20-16-9-15(4-5-17(16)23-10)21-18(22)13-6-11-2-3-14(19)8-12(11)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,21,22)
InChIKeyAKMUQGAMMOZMOF-UHFFFAOYSA-N
MW387.30 g/mol
LogP4.72
Rot. Bonds2

About 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112525640) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112525640
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc2cc(NC(=O)C3Cc4ccc(Br)cc4C3)ccc2s1
InChIInChI=1S/C18H15BrN2OS/c1-10-20-16-9-15(4-5-17(16)23-10)21-18(22)13-6-11-2-3-14(19)8-12(11)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,21,22)
InChIKeyAKMUQGAMMOZMOF-UHFFFAOYSA-N
XLogP4.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511577
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112521584
5-bromo-N-[3-(dimethylamino)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 84577492
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
CID 16830604
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
(3S)-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096310
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
3,7-dimethyl-N-(2-methyl-1,3-benzothiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 136548736
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147
5-bromo-N-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112524848

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112525640) is 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide is Cc1nc2cc(NC(=O)C3Cc4ccc(Br)cc4C3)ccc2s1.
What is the InChIKey of 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is AKMUQGAMMOZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c1-10-20-16-9-15(4-5-17(16)23-10)21-18(22)13-6-11-2-3-14(19)8-12(11)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,21,22).
What are the key properties of 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 387.30 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112525640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).