[6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide

C10H10ClN5S — CID 11459846

IUPAC[6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide
SMILESN#CNC1=NC2(CC2)CN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H10ClN5S/c11-8-13-3-7(17-8)4-16-5-10(1-2-10)15-9(16)14-6-12/h3H,1-2,4-5H2,(H,14,15)
InChIKeyFNLZUQMIZRUINZ-UHFFFAOYSA-N
MW267.74 g/mol
LogP1.57
Rot. Bonds2

About [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide

[6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide (PubChem CID 11459846) has the molecular formula C10H10ClN5S and a molecular weight of 267.74 g/mol. Its IUPAC name is [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide.

Molecular Properties

Compound Name[6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide
PubChem CID11459846
Molecular FormulaC10H10ClN5S
Molecular Weight267.74 g/mol
Exact Mass267.03
IUPAC Name[6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide
SMILESN#CNC1=NC2(CC2)CN1Cc1cnc(Cl)s1
InChIInChI=1S/C10H10ClN5S/c11-8-13-3-7(17-8)4-16-5-10(1-2-10)15-9(16)14-6-12/h3H,1-2,4-5H2,(H,14,15)
InChIKeyFNLZUQMIZRUINZ-UHFFFAOYSA-N
XLogP1.57
TPSA64.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide?
The IUPAC name of [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide (CID 11459846) is [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide.
What is the SMILES notation for [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide?
The canonical SMILES for [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide is N#CNC1=NC2(CC2)CN1Cc1cnc(Cl)s1.
What is the InChIKey of [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide?
The InChIKey is FNLZUQMIZRUINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5S/c11-8-13-3-7(17-8)4-16-5-10(1-2-10)15-9(16)14-6-12/h3H,1-2,4-5H2,(H,14,15).
What are the key properties of [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide?
[6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide has a molecular weight of 267.74 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]hept-4-en-5-yl]cyanamide is sourced from PubChem (CID 11459846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).