N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide

C18H21N5OS2 — CID 10068818

IUPACN'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1
InChIInChI=1S/C18H21N5OS2/c19-17(15-2-1-11-25-15)21-13-3-4-14-16(12-13)26-18(22-14)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22)
InChIKeyNURNOEJZWIKGEZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.14
Rot. Bonds6

About N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide

N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide (PubChem CID 10068818) has the molecular formula C18H21N5OS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide
PubChem CID10068818
Molecular FormulaC18H21N5OS2
Molecular Weight387.53 g/mol
Exact Mass387.12
IUPAC NameN'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide
SMILESN/C(=N\c1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1
InChIInChI=1S/C18H21N5OS2/c19-17(15-2-1-11-25-15)21-13-3-4-14-16(12-13)26-18(22-14)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22)
InChIKeyNURNOEJZWIKGEZ-UHFFFAOYSA-N
XLogP3.14
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-Morpholinyl)benzothiazole
CID 77901
2-Morpholinobenzo[D]thiazol-6-amine
CID 2608752
2-N-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]-1,3-benzothiazole-2,6-diamine
CID 44441064
2-N-[2-[(6-amino-1,3-benzothiazol-2-yl)-methylamino]ethyl]-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 44441081
4-(1,3-benzothiazol-2-yl)-N-butylpiperazine-1-carbothioamide
CID 3191992
4-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191997
N-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-2-(methylthio)-1,3-benzothiazol-6-amine
CID 1018416
N-[2-(1-benzyl-piperidin-4-ylamino)-benzothiazol-6-yl]-thiophene-2-carboxamidine
CID 10411355
N-[2-(2-pyridin-2-yl-ethylamino)-benzothiazol-6-yl]-thiophene-2-carboxamidine
CID 10452321
1-(2-Amino-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 162383187
1-(2-Amino-1,3-benzothiazol-6-yl)-3-(4-chlorophenyl)-1-(2-morpholin-4-ylethyl)urea
CID 162383198
2-(4-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-piperazin-1-yl)-benzothiazole
CID 655073

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide?
The IUPAC name of N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide (CID 10068818) is N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide is N/C(=N\c1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1.
What is the InChIKey of N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide?
The InChIKey is NURNOEJZWIKGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS2/c19-17(15-2-1-11-25-15)21-13-3-4-14-16(12-13)26-18(22-14)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22).
What are the key properties of N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide?
N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide has a molecular weight of 387.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-morpholin-4-ylethylamino)-1,3-benzothiazol-6-yl]thiophene-2-carboximidamide is sourced from PubChem (CID 10068818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).