[4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

C17H20N4O2S — CID 89307482

IUPAC[4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2csc(NCC3CC=CO3)n2)c[nH]1)N1CCCC1
InChIInChI=1S/C17H20N4O2S/c22-16(21-5-1-2-6-21)14-8-12(9-18-14)15-11-24-17(20-15)19-10-13-4-3-7-23-13/h3,7-9,11,13,18H,1-2,4-6,10H2,(H,19,20)
InChIKeyXVIPMAZVHBEMSB-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.09
Rot. Bonds5

About [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone

[4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 89307482) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID89307482
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2csc(NCC3CC=CO3)n2)c[nH]1)N1CCCC1
InChIInChI=1S/C17H20N4O2S/c22-16(21-5-1-2-6-21)14-8-12(9-18-14)15-11-24-17(20-15)19-10-13-4-3-7-23-13/h3,7-9,11,13,18H,1-2,4-6,10H2,(H,19,20)
InChIKeyXVIPMAZVHBEMSB-UHFFFAOYSA-N
XLogP3.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 25441563
[4-(2-cyclopropyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 35618751
[4-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 24512255
1-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carbonyl]piperidine-3-carboxylic acid
CID 16780162
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
[3-(hydroxymethyl)piperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43422248
1-[[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]anilino]methyl]cyclopropane-1-carbaldehyde
CID 123970828
N-[3-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]morpholine-4-carboxamide
CID 71104862
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 35815183
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 114679778
N-[2-fluoro-5-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 71104863
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46411411

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone (CID 89307482) is [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2csc(NCC3CC=CO3)n2)c[nH]1)N1CCCC1.
What is the InChIKey of [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XVIPMAZVHBEMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(21-5-1-2-6-21)14-8-12(9-18-14)15-11-24-17(20-15)19-10-13-4-3-7-23-13/h3,7-9,11,13,18H,1-2,4-6,10H2,(H,19,20).
What are the key properties of [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone?
[4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 344.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,3-dihydrofuran-2-ylmethylamino)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 89307482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).