4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide

C11H17N3O2S — CID 114127532

IUPAC4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CC(O)CN1)c1nccs1
InChIInChI=1S/C11H17N3O2S/c1-7(11-12-2-3-17-11)5-14-10(16)9-4-8(15)6-13-9/h2-3,7-9,13,15H,4-6H2,1H3,(H,14,16)
InChIKeyNWBLEXXCKVQDPC-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.09
Rot. Bonds4

About 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 114127532) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID114127532
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CC(O)CN1)c1nccs1
InChIInChI=1S/C11H17N3O2S/c1-7(11-12-2-3-17-11)5-14-10(16)9-4-8(15)6-13-9/h2-3,7-9,13,15H,4-6H2,1H3,(H,14,16)
InChIKeyNWBLEXXCKVQDPC-UHFFFAOYSA-N
XLogP0.09
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4S)-4-hydroxy-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 28943404
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 114127550
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119882280
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 63306283
(2R,4R)-N-[(2S)-2-cyclopropyl-2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124686388
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
4-hydroxy-N-[2-(2-methylphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119804985

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide (CID 114127532) is 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide is CC(CNC(=O)C1CC(O)CN1)c1nccs1.
What is the InChIKey of 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is NWBLEXXCKVQDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(11-12-2-3-17-11)5-14-10(16)9-4-8(15)6-13-9/h2-3,7-9,13,15H,4-6H2,1H3,(H,14,16).
What are the key properties of 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 114127532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).