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

C16H18N2OS — CID 71295778

IUPACN-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCN(C(=O)Cc1ccccc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2OS/c1-18(15(19)11-12-7-3-2-4-8-12)16-17-13-9-5-6-10-14(13)20-16/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyGJBQCWWWOMZDAT-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.23
Rot. Bonds3

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

N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 71295778) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID71295778
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCN(C(=O)Cc1ccccc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C16H18N2OS/c1-18(15(19)11-12-7-3-2-4-8-12)16-17-13-9-5-6-10-14(13)20-16/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyGJBQCWWWOMZDAT-UHFFFAOYSA-N
XLogP3.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 71295778) is N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is CN(C(=O)Cc1ccccc1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GJBQCWWWOMZDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18(15(19)11-12-7-3-2-4-8-12)16-17-13-9-5-6-10-14(13)20-16/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 71295778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).