2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile

C16H15N3OS — CID 15956111

IUPAC2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCC1=CCCC1
InChIInChI=1S/C16H15N3OS/c17-10-13-5-6-14(19-16-18-7-8-21-16)9-15(13)20-11-12-3-1-2-4-12/h3,5-9H,1-2,4,11H2,(H,18,19)
InChIKeyWMIDCNRWQMDITE-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.25
Rot. Bonds5

About 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile

2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile (PubChem CID 15956111) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
PubChem CID15956111
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile
SMILESN#Cc1ccc(Nc2nccs2)cc1OCC1=CCCC1
InChIInChI=1S/C16H15N3OS/c17-10-13-5-6-14(19-16-18-7-8-21-16)9-15(13)20-11-12-3-1-2-4-12/h3,5-9H,1-2,4,11H2,(H,18,19)
InChIKeyWMIDCNRWQMDITE-UHFFFAOYSA-N
XLogP4.25
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The IUPAC name of 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile (CID 15956111) is 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile.
What is the SMILES notation for 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The canonical SMILES for 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile is N#Cc1ccc(Nc2nccs2)cc1OCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
The InChIKey is WMIDCNRWQMDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-10-13-5-6-14(19-16-18-7-8-21-16)9-15(13)20-11-12-3-1-2-4-12/h3,5-9H,1-2,4,11H2,(H,18,19).
What are the key properties of 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile?
2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile has a molecular weight of 297.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethoxy)-4-(1,3-thiazol-2-ylamino)benzonitrile is sourced from PubChem (CID 15956111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).