2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile

C22H23N5OS3 — CID 143660866

IUPAC2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile
SMILESN#CCN(Sc1cccs1)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H23N5OS3/c23-6-7-27(31-20-5-2-12-29-20)19-4-1-3-16-13-18(25-21(16)19)22-24-14-17(30-22)15-26-8-10-28-11-9-26/h1-5,12-13,17,25H,7-11,14-15H2
InChIKeyWNIZUNXJOFXHRJ-UHFFFAOYSA-N
MW469.66 g/mol
LogP4.46
Rot. Bonds7

About 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile

2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile (PubChem CID 143660866) has the molecular formula C22H23N5OS3 and a molecular weight of 469.66 g/mol. Its IUPAC name is 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile.

Molecular Properties

Compound Name2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile
PubChem CID143660866
Molecular FormulaC22H23N5OS3
Molecular Weight469.66 g/mol
Exact Mass469.11
IUPAC Name2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile
SMILESN#CCN(Sc1cccs1)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12
InChIInChI=1S/C22H23N5OS3/c23-6-7-27(31-20-5-2-12-29-20)19-4-1-3-16-13-18(25-21(16)19)22-24-14-17(30-22)15-26-8-10-28-11-9-26/h1-5,12-13,17,25H,7-11,14-15H2
InChIKeyWNIZUNXJOFXHRJ-UHFFFAOYSA-N
XLogP4.46
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile?
The IUPAC name of 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile (CID 143660866) is 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile.
What is the SMILES notation for 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile?
The canonical SMILES for 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile is N#CCN(Sc1cccs1)c1cccc2cc(C3=NCC(CN4CCOCC4)S3)[nH]c12.
What is the InChIKey of 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile?
The InChIKey is WNIZUNXJOFXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS3/c23-6-7-27(31-20-5-2-12-29-20)19-4-1-3-16-13-18(25-21(16)19)22-24-14-17(30-22)15-26-8-10-28-11-9-26/h1-5,12-13,17,25H,7-11,14-15H2.
What are the key properties of 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile?
2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile has a molecular weight of 469.66 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(morpholin-4-ylmethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]-thiophen-2-ylsulfanylamino]acetonitrile is sourced from PubChem (CID 143660866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).