5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide

C19H23N3OS2 — CID 86892170

IUPAC5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H23N3OS2/c1-4-11-22(13-12-21(2)3)19(23)17-10-9-16(24-17)18-20-14-7-5-6-8-15(14)25-18/h5-10H,4,11-13H2,1-3H3
InChIKeyARZBJOMDFLPLIT-UHFFFAOYSA-N
MW373.55 g/mol
LogP4.44
Rot. Bonds7

About 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide (PubChem CID 86892170) has the molecular formula C19H23N3OS2 and a molecular weight of 373.55 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide
PubChem CID86892170
Molecular FormulaC19H23N3OS2
Molecular Weight373.55 g/mol
Exact Mass373.13
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H23N3OS2/c1-4-11-22(13-12-21(2)3)19(23)17-10-9-16(24-17)18-20-14-7-5-6-8-15(14)25-18/h5-10H,4,11-13H2,1-3H3
InChIKeyARZBJOMDFLPLIT-UHFFFAOYSA-N
XLogP4.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-methylpentyl)-5-(1,3-benzothiazol-2-yl)-N-methylthiophene-2-carboxamide
CID 119658948
[2-oxo-2-(propylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2435002
5-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31177672
1-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-3-chloropropan-1-one
CID 2775468
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(3-ethyl-4-hydroxypyrrolidin-1-yl)methanone
CID 166188462
[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 4731615
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide
CID 71888539
[2-(methylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2436417
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide (CID 86892170) is 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide is CCCN(CCN(C)C)C(=O)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide?
The InChIKey is ARZBJOMDFLPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS2/c1-4-11-22(13-12-21(2)3)19(23)17-10-9-16(24-17)18-20-14-7-5-6-8-15(14)25-18/h5-10H,4,11-13H2,1-3H3.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 373.55 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 86892170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).