2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile

C10H7N5OS — CID 43475589

IUPAC2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
SMILESN#CCN(CC#N)c1nc2sccn2c1C=O
InChIInChI=1S/C10H7N5OS/c11-1-3-14(4-2-12)9-8(7-16)15-5-6-17-10(15)13-9/h5-7H,3-4H2
InChIKeySKSIVWPXOKYASY-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.06
Rot. Bonds4

About 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile

2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile (PubChem CID 43475589) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
PubChem CID43475589
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC Name2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile
SMILESN#CCN(CC#N)c1nc2sccn2c1C=O
InChIInChI=1S/C10H7N5OS/c11-1-3-14(4-2-12)9-8(7-16)15-5-6-17-10(15)13-9/h5-7H,3-4H2
InChIKeySKSIVWPXOKYASY-UHFFFAOYSA-N
XLogP1.06
TPSA85.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile?
The IUPAC name of 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile (CID 43475589) is 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile.
What is the SMILES notation for 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile?
The canonical SMILES for 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile is N#CCN(CC#N)c1nc2sccn2c1C=O.
What is the InChIKey of 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile?
The InChIKey is SKSIVWPXOKYASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c11-1-3-14(4-2-12)9-8(7-16)15-5-6-17-10(15)13-9/h5-7H,3-4H2.
What are the key properties of 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile?
2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile has a molecular weight of 245.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)amino]acetonitrile is sourced from PubChem (CID 43475589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).