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

C15H18N2OS2 — CID 70698689

IUPACN-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCN(C(=O)Cc1cccs1)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H18N2OS2/c1-2-17(14(18)10-11-6-5-9-19-11)15-16-12-7-3-4-8-13(12)20-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyANAMWGKTEHIYDY-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.68
Rot. Bonds4

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

N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (PubChem CID 70698689) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
PubChem CID70698689
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
SMILESCCN(C(=O)Cc1cccs1)c1nc2c(s1)CCCC2
InChIInChI=1S/C15H18N2OS2/c1-2-17(14(18)10-11-6-5-9-19-11)15-16-12-7-3-4-8-13(12)20-15/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyANAMWGKTEHIYDY-UHFFFAOYSA-N
XLogP3.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 71295783
N-methyl-2-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71295778
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)acetamide
CID 70698682
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 50948115
2-[2-(methoxymethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 73424678
N-(2-aminophenyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 62101477
N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-3-ylacetamide
CID 70680626
N-[2-(diethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341316
N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341244
N-[2-(dimethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41341290
N,N-dimethyl-2-[[[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110038818
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 2998856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide (CID 70698689) is N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is CCN(C(=O)Cc1cccs1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
The InChIKey is ANAMWGKTEHIYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-2-17(14(18)10-11-6-5-9-19-11)15-16-12-7-3-4-8-13(12)20-15/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide?
N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide has a molecular weight of 306.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 70698689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).