N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C13H10BrN3OS3 — CID 3956989

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2nc3ccc(Br)cc3s2)n1
InChIInChI=1S/C13H10BrN3OS3/c1-7-5-19-13(15-7)20-6-11(18)17-12-16-9-3-2-8(14)4-10(9)21-12/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyADSNNBQQZZRHMH-UHFFFAOYSA-N
MW400.35 g/mol
LogP4.55
Rot. Bonds4

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 3956989) has the molecular formula C13H10BrN3OS3 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID3956989
Molecular FormulaC13H10BrN3OS3
Molecular Weight400.35 g/mol
Exact Mass398.92
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)Nc2nc3ccc(Br)cc3s2)n1
InChIInChI=1S/C13H10BrN3OS3/c1-7-5-19-13(15-7)20-6-11(18)17-12-16-9-3-2-8(14)4-10(9)21-12/h2-5H,6H2,1H3,(H,16,17,18)
InChIKeyADSNNBQQZZRHMH-UHFFFAOYSA-N
XLogP4.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 3251922
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4239700
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889839
N-(4-bromo-2-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 24571086
N-(6-bromo-1,3-benzothiazol-2-yl)-2-chloroacetamide
CID 2384252
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952281
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16899211
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241
2-[2-[2-(3-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16898642
N-(6-bromo-1,3-benzothiazol-2-yl)undecanamide
CID 3680692
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 3956989) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)Nc2nc3ccc(Br)cc3s2)n1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ADSNNBQQZZRHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS3/c1-7-5-19-13(15-7)20-6-11(18)17-12-16-9-3-2-8(14)4-10(9)21-12/h2-5H,6H2,1H3,(H,16,17,18).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 400.35 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3956989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).