[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'}

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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).