3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide

C14H17N3O2S — CID 63570479

IUPAC3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2ccccc2c1CN1CCOCC1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)13-11(9-17-5-7-19-8-6-17)10-3-1-2-4-12(10)20-13/h1-4H,5-9,15H2,(H,16,18)
InChIKeyGEPSWFSCOVYVRR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.34
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide

3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide (PubChem CID 63570479) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
PubChem CID63570479
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
SMILESNNC(=O)c1sc2ccccc2c1CN1CCOCC1
InChIInChI=1S/C14H17N3O2S/c15-16-14(18)13-11(9-17-5-7-19-8-6-17)10-3-1-2-4-12(10)20-13/h1-4H,5-9,15H2,(H,16,18)
InChIKeyGEPSWFSCOVYVRR-UHFFFAOYSA-N
XLogP1.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,4-diazepan-1-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63578019
3-(sulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63590827
3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364898
[3-(1,4-oxazepan-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 55141926
3-(imidazol-1-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 55214028
3-chloro-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 27887356
3-chloro-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 3142178
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-(2-aminoethylsulfanylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63582377
3-amino-N-morpholin-4-yl-1-benzothiophene-2-carboxamide
CID 83024638
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide (CID 63570479) is 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide is NNC(=O)c1sc2ccccc2c1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide?
The InChIKey is GEPSWFSCOVYVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-16-14(18)13-11(9-17-5-7-19-8-6-17)10-3-1-2-4-12(10)20-13/h1-4H,5-9,15H2,(H,16,18).
What are the key properties of 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide?
3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 63570479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).