N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

C10H10N2O2S — CID 801585

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1=NCCS1
InChIInChI=1S/C10H10N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2,(H,11,12,13)
InChIKeyBBEAIGJIRKWZLO-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.51
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 801585) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID801585
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1=NCCS1
InChIInChI=1S/C10H10N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2,(H,11,12,13)
InChIKeyBBEAIGJIRKWZLO-UHFFFAOYSA-N
XLogP1.51
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-((2-(Furan-2-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 2399528
5-(2-Furylmethylene)-2-imino-1,3-thiazolidin-4-one
CID 1243441
5-Methyl-2-furaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-yl)hydrazone
CID 135472705
2-(2-furylmethylene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 773189
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-furamide
CID 135449187
CID 137630114
CID 137630114
5-Ethyl-2-(furfurylidenehydrazino)-2-thiazolin-4-one
CID 135401272
5-(Furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 229999
N-(2-(furan-2-ylmethylthio)ethyl)-2-(4-hydroxy-6-propylpyrimidin-2-ylthio)acetamide
CID 135435989
2-Furaldehyde (5,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135517209
2-Furaldehyde (5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135437539

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 801585) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is BBEAIGJIRKWZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-9(12-10-11-5-7-15-10)4-3-8-2-1-6-14-8/h1-4,6H,5,7H2,(H,11,12,13).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 222.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 801585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).