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

C11H17N3O2S — CID 119882280

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCc1nc(CNC(=O)C2CC(O)CN2)cs1
InChIInChI=1S/C11H17N3O2S/c1-2-10-14-7(6-17-10)4-13-11(16)9-3-8(15)5-12-9/h6,8-9,12,15H,2-5H2,1H3,(H,13,16)
InChIKeyUIDXCTOJRLCHJN-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.04
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119882280) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119882280
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCc1nc(CNC(=O)C2CC(O)CN2)cs1
InChIInChI=1S/C11H17N3O2S/c1-2-10-14-7(6-17-10)4-13-11(16)9-3-8(15)5-12-9/h6,8-9,12,15H,2-5H2,1H3,(H,13,16)
InChIKeyUIDXCTOJRLCHJN-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119864336
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 119675992
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
4-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 114127532
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 114147837
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119882280) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is CCc1nc(CNC(=O)C2CC(O)CN2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is UIDXCTOJRLCHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-10-14-7(6-17-10)4-13-11(16)9-3-8(15)5-12-9/h6,8-9,12,15H,2-5H2,1H3,(H,13,16).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119882280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).