5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

C9H14N2O2S — CID 79198899

IUPAC5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1csc(NC(=O)CCCCO)n1
InChIInChI=1S/C9H14N2O2S/c1-7-6-14-9(10-7)11-8(13)4-2-3-5-12/h6,12H,2-5H2,1H3,(H,10,11,13)
InChIKeyAYGMGHCJXOMRBD-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.55
Rot. Bonds5

About 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 79198899) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID79198899
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1csc(NC(=O)CCCCO)n1
InChIInChI=1S/C9H14N2O2S/c1-7-6-14-9(10-7)11-8(13)4-2-3-5-12/h6,12H,2-5H2,1H3,(H,10,11,13)
InChIKeyAYGMGHCJXOMRBD-UHFFFAOYSA-N
XLogP1.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
tert-butyl N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47116057
5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 24645329
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110678667
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 111112405
5-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-5-oxopentanoic acid
CID 28931974
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 2679260
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
2-[3-(dimethylamino)propylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4088039
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111722532

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (CID 79198899) is 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide is Cc1csc(NC(=O)CCCCO)n1.
What is the InChIKey of 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is AYGMGHCJXOMRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-7-6-14-9(10-7)11-8(13)4-2-3-5-12/h6,12H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 214.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 79198899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).