N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide

C14H12N2OS2 — CID 2809628

IUPACN-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide
SMILESCC(=O)Nc1scc(C)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c1-8-7-18-13(15-9(2)17)12(8)14-16-10-5-3-4-6-11(10)19-14/h3-7H,1-2H3,(H,15,17)
InChIKeyDTVYWIGHDMLUGP-UHFFFAOYSA-N
MW288.40 g/mol
LogP4.29
Rot. Bonds2

About N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide

N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide (PubChem CID 2809628) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide
PubChem CID2809628
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide
SMILESCC(=O)Nc1scc(C)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H12N2OS2/c1-8-7-18-13(15-9(2)17)12(8)14-16-10-5-3-4-6-11(10)19-14/h3-7H,1-2H3,(H,15,17)
InChIKeyDTVYWIGHDMLUGP-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide (CID 2809628) is N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide is CC(=O)Nc1scc(C)c1-c1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide?
The InChIKey is DTVYWIGHDMLUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-8-7-18-13(15-9(2)17)12(8)14-16-10-5-3-4-6-11(10)19-14/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide?
N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide has a molecular weight of 288.40 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]acetamide is sourced from PubChem (CID 2809628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).