(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide

C21H23N3O3S — CID 51964562

IUPAC(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2Cc2csc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-5-10-19(27-14)21-23-16(13-28-21)12-24-11-3-4-18(24)20(25)22-15-6-8-17(26-2)9-7-15/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyLDQPWUSMKVXUBA-SFHVURJKSA-N
MW397.50 g/mol
LogP4.32
Rot. Bonds6

About (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 51964562) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID51964562
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN2Cc2csc(-c3ccc(C)o3)n2)cc1
InChIInChI=1S/C21H23N3O3S/c1-14-5-10-19(27-14)21-23-16(13-28-21)12-24-11-3-4-18(24)20(25)22-15-6-8-17(26-2)9-7-15/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyLDQPWUSMKVXUBA-SFHVURJKSA-N
XLogP4.32
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
1-(1,3-benzothiazol-2-ylmethyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 47055497
(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 100692030
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55798738
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 4749468
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
(3S)-N,N-dimethyl-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
CID 95273650
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43442132
1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 56811934
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 119650689

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 51964562) is (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN2Cc2csc(-c3ccc(C)o3)n2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LDQPWUSMKVXUBA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-14-5-10-19(27-14)21-23-16(13-28-21)12-24-11-3-4-18(24)20(25)22-15-6-8-17(26-2)9-7-15/h5-10,13,18H,3-4,11-12H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-1-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51964562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).