2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile

C13H10N2OS — CID 3120750

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccoc1)c1nc(C2CC2)cs1
InChIInChI=1S/C13H10N2OS/c14-6-11(5-9-3-4-16-7-9)13-15-12(8-17-13)10-1-2-10/h3-5,7-8,10H,1-2H2
InChIKeyYUJSGHDRXFSYCX-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile

2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile (PubChem CID 3120750) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile
PubChem CID3120750
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile
SMILESN#CC(=Cc1ccoc1)c1nc(C2CC2)cs1
InChIInChI=1S/C13H10N2OS/c14-6-11(5-9-3-4-16-7-9)13-15-12(8-17-13)10-1-2-10/h3-5,7-8,10H,1-2H2
InChIKeyYUJSGHDRXFSYCX-UHFFFAOYSA-N
XLogP3.68
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 135976063
(Z)-2-(1,3-benzothiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile
CID 21205156
3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
CID 3339582
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2837945
4-[(Z)-2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]benzonitrile
CID 52747155
4-cyclopropyl-1,3-thiazole-2-carboxylic acid
CID 51063804
ethyl 4-[[(E)-2-cyano-2-(4-cyclopropyl-1,3-thiazol-2-yl)ethenyl]amino]benzoate
CID 27651570
CID 68792488
CID 68792488
(Z)-3-(4-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 20833627
(Z)-2-(4-phenyl-1,3-thiazol-2-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 75409758
4-cyclopropyl-1,3-thiazole-2-carbonitrile
CID 71748573
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)prop-2-enenitrile
CID 2856247

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile (CID 3120750) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile is N#CC(=Cc1ccoc1)c1nc(C2CC2)cs1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile?
The InChIKey is YUJSGHDRXFSYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c14-6-11(5-9-3-4-16-7-9)13-15-12(8-17-13)10-1-2-10/h3-5,7-8,10H,1-2H2.
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile?
2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile has a molecular weight of 242.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile is sourced from PubChem (CID 3120750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).