N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

C15H19N3O3S — CID 70723311

IUPACN-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2nc(CO)cs2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C15H19N3O3S/c1-9-3-4-14(21-9)12-5-18(6-13(12)16-10(2)20)15-17-11(7-19)8-22-15/h3-4,8,12-13,19H,5-7H2,1-2H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyUZUBBNHVJOVQMH-CHWSQXEVSA-N
MW321.40 g/mol
LogP1.65
Rot. Bonds4

About N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide

N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 70723311) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID70723311
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(c2nc(CO)cs2)C[C@H]1c1ccc(C)o1
InChIInChI=1S/C15H19N3O3S/c1-9-3-4-14(21-9)12-5-18(6-13(12)16-10(2)20)15-17-11(7-19)8-22-15/h3-4,8,12-13,19H,5-7H2,1-2H3,(H,16,20)/t12-,13-/m1/s1
InChIKeyUZUBBNHVJOVQMH-CHWSQXEVSA-N
XLogP1.65
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S*,4R*)-3-(acetylamino)-4-(5-methyl-2-furyl)-1-pyrrolidinyl]-1,3-thiazole-4-carboxamide
CID 70777145
N-[(3S*,4R*)-1-{[2-(methylamino)-1,3-thiazol-4-yl]methyl}-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70785330
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 40375656
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 40375657
N-ethyl-N-[4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 43435798
N-[1-(furan-2-yl)propan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 45812914
3-(furan-2-yl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 56791002
2-(2-amino-1,3-thiazol-4-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 62799994
N-{(3S*,4R*)-4-(5-methyl-2-furyl)-1-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-3-pyrrolidinyl}acetamide
CID 70762741
N-[(3S*,4R*)-1-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-4-(5-methyl-2-furyl)-3-pyrrolidinyl]acetamide
CID 70778350
[(3R,4S)-3-amino-4-(5-methylfuran-2-yl)pyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938706
5-{[(3R*,4S*)-3-amino-4-(5-methyl-2-furyl)pyrrolidin-1-yl]carbonyl}-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 72939120

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide (CID 70723311) is N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(c2nc(CO)cs2)C[C@H]1c1ccc(C)o1.
What is the InChIKey of N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is UZUBBNHVJOVQMH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-3-4-14(21-9)12-5-18(6-13(12)16-10(2)20)15-17-11(7-19)8-22-15/h3-4,8,12-13,19H,5-7H2,1-2H3,(H,16,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70723311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).