(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C14H14N2O4S — CID 124695780

IUPAC(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2cnc(-c3ccco3)s2)C1
InChIInChI=1S/C14H14N2O4S/c1-14(13(18)19)4-5-16(8-14)12(17)10-7-15-11(21-10)9-3-2-6-20-9/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeySSWIRVKLTKVNST-CQSZACIVSA-N
MW306.34 g/mol
LogP2.34
Rot. Bonds3

About (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 124695780) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID124695780
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@]1(C(=O)O)CCN(C(=O)c2cnc(-c3ccco3)s2)C1
InChIInChI=1S/C14H14N2O4S/c1-14(13(18)19)4-5-16(8-14)12(17)10-7-15-11(21-10)9-3-2-6-20-9/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeySSWIRVKLTKVNST-CQSZACIVSA-N
XLogP2.34
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125132297
(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
(3R)-1-(furan-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020168
(3S)-1-(2-ethyl-1,3-thiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124684594
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71878575
3-methyl-1-(2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256229
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(7S)-7-methyl-1,1-dioxo-1,4-thiazepan-4-yl]methanone
CID 124624103
3-methyl-1-[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529355
[3-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119594711
(3S)-1-(5-ethylthiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020288
(2,2-dimethylmorpholin-4-yl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 86991467
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 119663063

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 124695780) is (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is C[C@@]1(C(=O)O)CCN(C(=O)c2cnc(-c3ccco3)s2)C1.
What is the InChIKey of (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SSWIRVKLTKVNST-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-14(13(18)19)4-5-16(8-14)12(17)10-7-15-11(21-10)9-3-2-6-20-9/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124695780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).