(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

C12H11N3O2S — CID 82194063

IUPAC(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc2c(s1)CNC2
InChIInChI=1S/C12H11N3O2S/c16-11(4-3-8-2-1-5-17-8)15-12-14-9-6-13-7-10(9)18-12/h1-5,13H,6-7H2,(H,14,15,16)/b4-3+
InChIKeyZFBPUMQXDTWOPP-ONEGZZNKSA-N
MW261.31 g/mol
LogP1.99
Rot. Bonds3

About (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 82194063) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID82194063
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1nc2c(s1)CNC2
InChIInChI=1S/C12H11N3O2S/c16-11(4-3-8-2-1-5-17-8)15-12-14-9-6-13-7-10(9)18-12/h1-5,13H,6-7H2,(H,14,15,16)/b4-3+
InChIKeyZFBPUMQXDTWOPP-ONEGZZNKSA-N
XLogP1.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 82342504
(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
CID 43593285
(E)-N-benzo[e][1,3]benzothiazol-2-yl-3-(furan-2-yl)prop-2-enamide
CID 7916610
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4812428
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 4131067
3-(furan-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3663869
methyl 2-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623022
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(E)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 903368

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide (CID 82194063) is (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1nc2c(s1)CNC2.
What is the InChIKey of (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ZFBPUMQXDTWOPP-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H11N3O2S/c16-11(4-3-8-2-1-5-17-8)15-12-14-9-6-13-7-10(9)18-12/h1-5,13H,6-7H2,(H,14,15,16)/b4-3+.
What are the key properties of (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 261.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 82194063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).