N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

C16H13BrN2O2S — CID 17168177

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C16H13BrN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeySGNCEIJNSIRPAW-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.25
Rot. Bonds4

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 17168177) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID17168177
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C16H13BrN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeySGNCEIJNSIRPAW-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
5-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 1287520
Casein kinase 1|A-IN-3
CID 670753
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 739503
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971
3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 2596988

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (CID 17168177) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is SGNCEIJNSIRPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 377.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 17168177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).