N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide

C20H20N4OS2 — CID 18589895

IUPACN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
SMILESCCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1
InChIInChI=1S/C20H20N4OS2/c1-2-15-6-7-16-18(13-15)27-20(22-16)24(19(25)17-5-3-12-26-17)10-4-9-23-11-8-21-14-23/h3,5-8,11-14H,2,4,9-10H2,1H3
InChIKeyIYZGJYPPABTYPQ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.85
Rot. Bonds7

About N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide

N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 18589895) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
PubChem CID18589895
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC NameN-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
SMILESCCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1
InChIInChI=1S/C20H20N4OS2/c1-2-15-6-7-16-18(13-15)27-20(22-16)24(19(25)17-5-3-12-26-17)10-4-9-23-11-8-21-14-23/h3,5-8,11-14H,2,4,9-10H2,1H3
InChIKeyIYZGJYPPABTYPQ-UHFFFAOYSA-N
XLogP4.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide (CID 18589895) is N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide is CCc1ccc2nc(N(CCCn3ccnc3)C(=O)c3cccs3)sc2c1.
What is the InChIKey of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is IYZGJYPPABTYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-2-15-6-7-16-18(13-15)27-20(22-16)24(19(25)17-5-3-12-26-17)10-4-9-23-11-8-21-14-23/h3,5-8,11-14H,2,4,9-10H2,1H3.
What are the key properties of N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide?
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 18589895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).