N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide

C19H19N3O2S2 — CID 71888539

IUPACN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide
SMILESNC(=O)CN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)C1CCCC1
InChIInChI=1S/C19H19N3O2S2/c20-17(23)11-22(12-5-1-2-6-12)19(24)16-10-9-15(25-16)18-21-13-7-3-4-8-14(13)26-18/h3-4,7-10,12H,1-2,5-6,11H2,(H2,20,23)
InChIKeyMYFYAACPLXDGRY-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.89
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide (PubChem CID 71888539) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide
PubChem CID71888539
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide
SMILESNC(=O)CN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)C1CCCC1
InChIInChI=1S/C19H19N3O2S2/c20-17(23)11-22(12-5-1-2-6-12)19(24)16-10-9-15(25-16)18-21-13-7-3-4-8-14(13)26-18/h3-4,7-10,12H,1-2,5-6,11H2,(H2,20,23)
InChIKeyMYFYAACPLXDGRY-UHFFFAOYSA-N
XLogP3.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide (CID 71888539) is N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide is NC(=O)CN(C(=O)c1ccc(-c2nc3ccccc3s2)s1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide?
The InChIKey is MYFYAACPLXDGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c20-17(23)11-22(12-5-1-2-6-12)19(24)16-10-9-15(25-16)18-21-13-7-3-4-8-14(13)26-18/h3-4,7-10,12H,1-2,5-6,11H2,(H2,20,23).
What are the key properties of N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-(1,3-benzothiazol-2-yl)-N-cyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 71888539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).