2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine

C14H13N5O2S — CID 3387618

IUPAC2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C14H13N5O2S/c15-13(16)18-14-17-8(7-22-14)5-6-19-11(20)9-3-1-2-4-10(9)12(19)21/h1-4,7H,5-6H2,(H4,15,16,17,18)
InChIKeyCFFKDDLABFMJTH-UHFFFAOYSA-N
MW315.36 g/mol
LogP0.89
Rot. Bonds4

About 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine

2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine (PubChem CID 3387618) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine
PubChem CID3387618
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
InChIInChI=1S/C14H13N5O2S/c15-13(16)18-14-17-8(7-22-14)5-6-19-11(20)9-3-1-2-4-10(9)12(19)21/h1-4,7H,5-6H2,(H4,15,16,17,18)
InChIKeyCFFKDDLABFMJTH-UHFFFAOYSA-N
XLogP0.89
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine 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

2-[2-(4-Phenyl-1,3-thiazol-2-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 604477
2-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1482048
2-{2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473045
N-{4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1,3-thiazol-2-yl}acetamide
CID 1473044
3-((1,3-Dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodide
CID 665167
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1473461
2-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473490
2-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473492
3-{2-[4-(4,5-Dimethyl-thiazol-2-yl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9820085
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-dioxoisoindol-4-yl)acetamide
CID 44224229
2-(2-methyl-1,3-dioxoisoindolin-4-yl)-N-(4-(3-(trifluoromethyl)phenyl)thiazol-2-yl)acetamide
CID 44241798
ethyl (2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1147803

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine (CID 3387618) is 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1.
What is the InChIKey of 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is CFFKDDLABFMJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c15-13(16)18-14-17-8(7-22-14)5-6-19-11(20)9-3-1-2-4-10(9)12(19)21/h1-4,7H,5-6H2,(H4,15,16,17,18).
What are the key properties of 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine?
2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 315.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 3387618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).