[3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

C8H7FN4S2 — CID 87081656

IUPAC[3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1cnc(F)s1
InChIInChI=1S/C8H7FN4S2/c9-7-11-3-6(15-7)4-13-1-2-14-8(13)12-5-10/h3H,1-2,4H2/b12-8-
InChIKeyMSGXMNMIFYWCDW-WQLSENKSSA-N
MW242.30 g/mol
LogP1.67
Rot. Bonds2

About [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

[3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 87081656) has the molecular formula C8H7FN4S2 and a molecular weight of 242.30 g/mol. Its IUPAC name is [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Name[3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID87081656
Molecular FormulaC8H7FN4S2
Molecular Weight242.30 g/mol
Exact Mass242.01
IUPAC Name[3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\SCCN1Cc1cnc(F)s1
InChIInChI=1S/C8H7FN4S2/c9-7-11-3-6(15-7)4-13-1-2-14-8(13)12-5-10/h3H,1-2,4H2/b12-8-
InChIKeyMSGXMNMIFYWCDW-WQLSENKSSA-N
XLogP1.67
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide 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

Cyanamide, [3-[(2-chloro-5-thiazolyl)methyl]-2-thiazolidinylidene]-
CID 9816606
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-methylethanimidamide
CID 9837492
(NZ)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]nitramide
CID 52951428
(2-Chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide
CID 11231461
[1-[(2-fluoro-1,3-thiazol-5-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-yl]cyanamide
CID 15925069
N'-cyano-N-[(2-fluoro-1,3-thiazol-5-yl)methyl]-N-methylethanimidamide
CID 87082693
5-[(6-methyl-4-methylsulfanyl-2H-1,3,5-triazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 141374842
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-(2,2-difluoroethyl)ethanimidamide
CID 24760046
N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide
CID 46910526
5-[(3-Fluoropyrrolidin-1-yl)methyl]-1,3-thiazole
CID 171704148
2-chloro-5-(5,6-dihydro-4H-pyrimidin-1-ylmethyl)-1,3-thiazole
CID 9942579
3-(2-Chloro-5-thiazolylmethyl)-2-iminothiazolidine
CID 10198562

Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide (CID 87081656) is [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\SCCN1Cc1cnc(F)s1.
What is the InChIKey of [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is MSGXMNMIFYWCDW-WQLSENKSSA-N. The full InChI is InChI=1S/C8H7FN4S2/c9-7-11-3-6(15-7)4-13-1-2-14-8(13)12-5-10/h3H,1-2,4H2/b12-8-.
What are the key properties of [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide?
[3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 242.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluoro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 87081656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).