N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide

C18H19N3O2S2 — CID 117086819

IUPACN-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2nc(-c3cccs3)sc2c1
InChIInChI=1S/C18H19N3O2S2/c22-17(19-5-6-21-7-9-23-10-8-21)13-3-4-14-16(12-13)25-18(20-14)15-2-1-11-24-15/h1-4,11-12H,5-10H2,(H,19,22)
InChIKeyNCUJDAOHRDPWRO-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.09
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide

N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 117086819) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
PubChem CID117086819
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc2nc(-c3cccs3)sc2c1
InChIInChI=1S/C18H19N3O2S2/c22-17(19-5-6-21-7-9-23-10-8-21)13-3-4-14-16(12-13)25-18(20-14)15-2-1-11-24-15/h1-4,11-12H,5-10H2,(H,19,22)
InChIKeyNCUJDAOHRDPWRO-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide (CID 117086819) is N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide is O=C(NCCN1CCOCC1)c1ccc2nc(-c3cccs3)sc2c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is NCUJDAOHRDPWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-17(19-5-6-21-7-9-23-10-8-21)13-3-4-14-16(12-13)25-18(20-14)15-2-1-11-24-15/h1-4,11-12H,5-10H2,(H,19,22).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide?
N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 117086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).