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

C13H21N3O2S — CID 119875317

IUPAC4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
SMILESCc1csc(CCCCNC(=O)C2CC(O)CN2)n1
InChIInChI=1S/C13H21N3O2S/c1-9-8-19-12(16-9)4-2-3-5-14-13(18)11-6-10(17)7-15-11/h8,10-11,15,17H,2-7H2,1H3,(H,14,18)
InChIKeySOJFHYMCGGZUGO-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.61
Rot. Bonds6

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

4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide (PubChem CID 119875317) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
PubChem CID119875317
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
SMILESCc1csc(CCCCNC(=O)C2CC(O)CN2)n1
InChIInChI=1S/C13H21N3O2S/c1-9-8-19-12(16-9)4-2-3-5-14-13(18)11-6-10(17)7-15-11/h8,10-11,15,17H,2-7H2,1H3,(H,14,18)
InChIKeySOJFHYMCGGZUGO-UHFFFAOYSA-N
XLogP0.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
trans-(1R,2R)-2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119577
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
(3S)-6,6-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxothiomorpholine-3-carboxamide
CID 125178511
(2S,4S)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124681675
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63240238
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
1-(3-methylsulfanylcyclopentyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]urea
CID 71990317

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide (CID 119875317) is 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide is Cc1csc(CCCCNC(=O)C2CC(O)CN2)n1.
What is the InChIKey of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide?
The InChIKey is SOJFHYMCGGZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-8-19-12(16-9)4-2-3-5-14-13(18)11-6-10(17)7-15-11/h8,10-11,15,17H,2-7H2,1H3,(H,14,18).
What are the key properties of 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119875317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).