4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide

C10H16N4O2S — CID 63583136

IUPAC4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCCC2CO)cs1
InChIInChI=1S/C10H16N4O2S/c11-13-9(16)10-12-7(6-17-10)4-14-3-1-2-8(14)5-15/h6,8,15H,1-5,11H2,(H,13,16)
InChIKeyGAHSPHHSLLUNLW-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.30
Rot. Bonds4

About 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide

4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63583136) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63583136
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN2CCCC2CO)cs1
InChIInChI=1S/C10H16N4O2S/c11-13-9(16)10-12-7(6-17-10)4-14-3-1-2-8(14)5-15/h6,8,15H,1-5,11H2,(H,13,16)
InChIKeyGAHSPHHSLLUNLW-UHFFFAOYSA-N
XLogP-0.30
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573567
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 63578585
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
[(2R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62040964
2-[4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 78955069
4-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 55212106
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 82701792

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide (CID 63583136) is 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN2CCCC2CO)cs1.
What is the InChIKey of 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is GAHSPHHSLLUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c11-13-9(16)10-12-7(6-17-10)4-14-3-1-2-8(14)5-15/h6,8,15H,1-5,11H2,(H,13,16).
What are the key properties of 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 256.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63583136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).