(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one

C19H18N4O2S — CID 132771012

IUPAC(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCCC1c1csc(Nc2ccccn2)n1
InChIInChI=1S/C19H18N4O2S/c24-18(9-8-14-5-4-12-25-14)23-11-3-6-16(23)15-13-26-19(21-15)22-17-7-1-2-10-20-17/h1-2,4-5,7-10,12-13,16H,3,6,11H2,(H,20,21,22)/b9-8+
InChIKeyCSGYUKCVBFRXOG-CMDGGOBGSA-N
MW366.45 g/mol
LogP4.25
Rot. Bonds5

About (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 132771012) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID132771012
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCCC1c1csc(Nc2ccccn2)n1
InChIInChI=1S/C19H18N4O2S/c24-18(9-8-14-5-4-12-25-14)23-11-3-6-16(23)15-13-26-19(21-15)22-17-7-1-2-10-20-17/h1-2,4-5,7-10,12-13,16H,3,6,11H2,(H,20,21,22)/b9-8+
InChIKeyCSGYUKCVBFRXOG-CMDGGOBGSA-N
XLogP4.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270541
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
3-(2-methylpyrazol-3-yl)-1-[2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171147455
3-(2-methyl-1,3-thiazol-4-yl)-1-[3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]prop-2-en-1-one
CID 171147302
4-(1-pyrazin-2-ylpyrrolidin-2-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 110270514
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
1-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 122479789
(E)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 110091124
1-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069137
2-hydroxy-1-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835387
3-(furan-2-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91209753

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one (CID 132771012) is (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCCC1c1csc(Nc2ccccn2)n1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is CSGYUKCVBFRXOG-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18(9-8-14-5-4-12-25-14)23-11-3-6-16(23)15-13-26-19(21-15)22-17-7-1-2-10-20-17/h1-2,4-5,7-10,12-13,16H,3,6,11H2,(H,20,21,22)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 366.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 132771012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).