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

C10H9ClN4S2 — CID 11231461

IUPAC(2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide
SMILESN#CN(Cc1cnc(Cl)s1)C1=NC2(CC2)CS1
InChIInChI=1S/C10H9ClN4S2/c11-8-13-3-7(17-8)4-15(6-12)9-14-10(1-2-10)5-16-9/h3H,1-2,4-5H2
InChIKeySKODQBXNOBLTAT-UHFFFAOYSA-N
MW284.80 g/mol
LogP2.71
Rot. Bonds2

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

(2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide (PubChem CID 11231461) has the molecular formula C10H9ClN4S2 and a molecular weight of 284.80 g/mol. Its IUPAC name is (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide.

Molecular Properties

Compound Name(2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide
PubChem CID11231461
Molecular FormulaC10H9ClN4S2
Molecular Weight284.80 g/mol
Exact Mass284.00
IUPAC Name(2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide
SMILESN#CN(Cc1cnc(Cl)s1)C1=NC2(CC2)CS1
InChIInChI=1S/C10H9ClN4S2/c11-8-13-3-7(17-8)4-15(6-12)9-14-10(1-2-10)5-16-9/h3H,1-2,4-5H2
InChIKeySKODQBXNOBLTAT-UHFFFAOYSA-N
XLogP2.71
TPSA52.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide?
The IUPAC name of (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide (CID 11231461) is (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide.
What is the SMILES notation for (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide?
The canonical SMILES for (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide is N#CN(Cc1cnc(Cl)s1)C1=NC2(CC2)CS1.
What is the InChIKey of (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide?
The InChIKey is SKODQBXNOBLTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S2/c11-8-13-3-7(17-8)4-15(6-12)9-14-10(1-2-10)5-16-9/h3H,1-2,4-5H2.
What are the key properties of (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide?
(2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide has a molecular weight of 284.80 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,3-thiazol-5-yl)methyl-(6-thia-4-azaspiro[2.4]hept-4-en-5-yl)cyanamide is sourced from PubChem (CID 11231461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).