(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one

C17H19N5OS — CID 162346642

IUPAC(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one
SMILESCN1CCC(/N=C2\NC(=O)/C(=C/c3ccc4ncsc4c3)N2)CC1
InChIInChI=1S/C17H19N5OS/c1-22-6-4-12(5-7-22)19-17-20-14(16(23)21-17)8-11-2-3-13-15(9-11)24-10-18-13/h2-3,8-10,12H,4-7H2,1H3,(H2,19,20,21,23)/b14-8-
InChIKeyMXIKVRCYCKFUND-ZSOIEALJSA-N
MW341.44 g/mol
LogP1.81
Rot. Bonds2

About (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one

(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one (PubChem CID 162346642) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one
PubChem CID162346642
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one
SMILESCN1CCC(/N=C2\NC(=O)/C(=C/c3ccc4ncsc4c3)N2)CC1
InChIInChI=1S/C17H19N5OS/c1-22-6-4-12(5-7-22)19-17-20-14(16(23)21-17)8-11-2-3-13-15(9-11)24-10-18-13/h2-3,8-10,12H,4-7H2,1H3,(H2,19,20,21,23)/b14-8-
InChIKeyMXIKVRCYCKFUND-ZSOIEALJSA-N
XLogP1.81
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one 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

N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
5-(6-benzothiazolylmethylene)-3,5-dihydro-2-(((1S)-1-(methoxymethyl)-3-methylbutyl)amino)-4H-Imidazol-4-one, (5Z)-
CID 162346700
3-(6-Methyl-1,3-benzothiazol-2-yl)-2-thioxoimidazolidin-4-one
CID 896091
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7538937
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7538944
(E)-N-(2-(dimethylamino)ethyl)-N-(6-ethylbenzo[d]thiazol-2-yl)-3-(thiophen-2-yl)acrylamide hydrochloride
CID 24761833
(E)-N-(2-(diethylamino)ethyl)-N-(6-methylbenzo[d]thiazol-2-yl)-3-(thiophen-2-yl)acrylamide hydrochloride
CID 24761872
N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2444453
2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 3244448
(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 127032024
Leucettinib-92
CID 162346766
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 1496836

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one (CID 162346642) is (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one is CN1CCC(/N=C2\NC(=O)/C(=C/c3ccc4ncsc4c3)N2)CC1.
What is the InChIKey of (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one?
The InChIKey is MXIKVRCYCKFUND-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-22-6-4-12(5-7-22)19-17-20-14(16(23)21-17)8-11-2-3-13-15(9-11)24-10-18-13/h2-3,8-10,12H,4-7H2,1H3,(H2,19,20,21,23)/b14-8-.
What are the key properties of (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one?
(5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one has a molecular weight of 341.44 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1,3-benzothiazol-6-ylmethylidene)-2-(1-methylpiperidin-4-yl)iminoimidazolidin-4-one is sourced from PubChem (CID 162346642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).