(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C13H21N3O2S — CID 124681675

IUPAC(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)10-7-19-11(16-10)6-15-12(18)9-4-8(17)5-14-9/h7-9,14,17H,4-6H2,1-3H3,(H,15,18)/t8-,9-/m0/s1
InChIKeyUDMDSLSWRJDNRD-IUCAKERBSA-N
MW283.40 g/mol
LogP0.78
Rot. Bonds3

About (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124681675) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124681675
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)10-7-19-11(16-10)6-15-12(18)9-4-8(17)5-14-9/h7-9,14,17H,4-6H2,1-3H3,(H,15,18)/t8-,9-/m0/s1
InChIKeyUDMDSLSWRJDNRD-IUCAKERBSA-N
XLogP0.78
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119882280
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 118766364
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
trans-(1S,2S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97260090
cis-(1S,2R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97260092
4-hydroxy-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119813851
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 124681675) is (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@H](O)CN2)n1.
What is the InChIKey of (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UDMDSLSWRJDNRD-IUCAKERBSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2,3)10-7-19-11(16-10)6-15-12(18)9-4-8(17)5-14-9/h7-9,14,17H,4-6H2,1-3H3,(H,15,18)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124681675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).