N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide

C12H18N2OS — CID 71916583

IUPACN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide
SMILESCCc1nc2c(s1)C(N(C)C(C)=O)CCC2
InChIInChI=1S/C12H18N2OS/c1-4-11-13-9-6-5-7-10(12(9)16-11)14(3)8(2)15/h10H,4-7H2,1-3H3
InChIKeyZNFVLNXFRNYDHT-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.56
Rot. Bonds2

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

N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide (PubChem CID 71916583) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide
PubChem CID71916583
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide
SMILESCCc1nc2c(s1)C(N(C)C(C)=O)CCC2
InChIInChI=1S/C12H18N2OS/c1-4-11-13-9-6-5-7-10(12(9)16-11)14(3)8(2)15/h10H,4-7H2,1-3H3
InChIKeyZNFVLNXFRNYDHT-UHFFFAOYSA-N
XLogP2.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide?
The IUPAC name of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide (CID 71916583) is N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide?
The canonical SMILES for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide is CCc1nc2c(s1)C(N(C)C(C)=O)CCC2.
What is the InChIKey of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide?
The InChIKey is ZNFVLNXFRNYDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-11-13-9-6-5-7-10(12(9)16-11)14(3)8(2)15/h10H,4-7H2,1-3H3.
What are the key properties of N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide?
N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide has a molecular weight of 238.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methylacetamide is sourced from PubChem (CID 71916583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).