2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile

C8H7IN2OS — CID 130541770

IUPAC2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile
SMILESN#CC1CCOC1c1ncc(I)s1
InChIInChI=1S/C8H7IN2OS/c9-6-4-11-8(13-6)7-5(3-10)1-2-12-7/h4-5,7H,1-2H2
InChIKeyASYHSHGRXPDQRG-UHFFFAOYSA-N
MW306.13 g/mol
LogP2.35
Rot. Bonds1

About 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile

2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile (PubChem CID 130541770) has the molecular formula C8H7IN2OS and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile
PubChem CID130541770
Molecular FormulaC8H7IN2OS
Molecular Weight306.13 g/mol
Exact Mass305.93
IUPAC Name2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile
SMILESN#CC1CCOC1c1ncc(I)s1
InChIInChI=1S/C8H7IN2OS/c9-6-4-11-8(13-6)7-5(3-10)1-2-12-7/h4-5,7H,1-2H2
InChIKeyASYHSHGRXPDQRG-UHFFFAOYSA-N
XLogP2.35
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile?
The IUPAC name of 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile (CID 130541770) is 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile.
What is the SMILES notation for 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile?
The canonical SMILES for 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile is N#CC1CCOC1c1ncc(I)s1.
What is the InChIKey of 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile?
The InChIKey is ASYHSHGRXPDQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS/c9-6-4-11-8(13-6)7-5(3-10)1-2-12-7/h4-5,7H,1-2H2.
What are the key properties of 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile?
2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile has a molecular weight of 306.13 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-1,3-thiazol-2-yl)oxolane-3-carbonitrile is sourced from PubChem (CID 130541770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).