2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C15H15BrN2OS — CID 2932983

IUPAC2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15BrN2OS/c16-11-7-5-10(6-8-11)9-14(19)18-15-17-12-3-1-2-4-13(12)20-15/h5-8H,1-4,9H2,(H,17,18,19)
InChIKeyOGBDUGCEGAWELV-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.97
Rot. Bonds3

About 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2932983) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2932983
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C15H15BrN2OS/c16-11-7-5-10(6-8-11)9-14(19)18-15-17-12-3-1-2-4-13(12)20-15/h5-8H,1-4,9H2,(H,17,18,19)
InChIKeyOGBDUGCEGAWELV-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2932983) is 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is OGBDUGCEGAWELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-11-7-5-10(6-8-11)9-14(19)18-15-17-12-3-1-2-4-13(12)20-15/h5-8H,1-4,9H2,(H,17,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 351.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2932983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).