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

C14H16N2OS2 — CID 70680626

IUPACN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N2OS2/c1-16(13(17)8-10-6-7-18-9-10)14-15-11-4-2-3-5-12(11)19-14/h6-7,9H,2-5,8H2,1H3
InChIKeyNHVUGUIMMZCELJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.29
Rot. Bonds3

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

N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 70680626) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
PubChem CID70680626
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC NameN-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H16N2OS2/c1-16(13(17)8-10-6-7-18-9-10)14-15-11-4-2-3-5-12(11)19-14/h6-7,9H,2-5,8H2,1H3
InChIKeyNHVUGUIMMZCELJ-UHFFFAOYSA-N
XLogP3.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide (CID 70680626) is N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide is CN(C(=O)Cc1ccsc1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is NHVUGUIMMZCELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-16(13(17)8-10-6-7-18-9-10)14-15-11-4-2-3-5-12(11)19-14/h6-7,9H,2-5,8H2,1H3.
What are the key properties of N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide?
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 292.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 70680626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).