5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide

C12H21N3O2S — CID 63578253

IUPAC5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)N(CCCO)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15(6-3-7-16)8-10-4-5-11(18-10)12(17)14-13/h4-5,9,16H,3,6-8,13H2,1-2H3,(H,14,17)
InChIKeyPHMRZBFTBISWCD-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.94
Rot. Bonds7

About 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide

5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 63578253) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID63578253
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
SMILESCC(C)N(CCCO)Cc1ccc(C(=O)NN)s1
InChIInChI=1S/C12H21N3O2S/c1-9(2)15(6-3-7-16)8-10-4-5-11(18-10)12(17)14-13/h4-5,9,16H,3,6-8,13H2,1-2H3,(H,14,17)
InChIKeyPHMRZBFTBISWCD-UHFFFAOYSA-N
XLogP0.94
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

5-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]thiophene-2-carbohydrazide
CID 63583743
5-[(dipropylamino)methyl]thiophene-2-carbohydrazide
CID 63570424
5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophene-2-carbohydrazide
CID 81067684
5-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585226
3-[5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76917936
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63579150
5-[[2-cyanopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 55212482
5-[[cyclopropyl(methyl)amino]methyl]thiophene-2-carbohydrazide
CID 63573825
N-ethyl-2-[[5-(hydrazinecarbonyl)thiophen-2-yl]methyl-methylamino]acetamide
CID 63583466
5-[[2-cyanopropyl(ethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63585748
5-methyl-4-[[pentyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 80733470
5-(2-methylpropoxymethyl)thiophene-2-carbohydrazide
CID 63575070

Frequently Asked Questions

What is the IUPAC name of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide (CID 63578253) is 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide is CC(C)N(CCCO)Cc1ccc(C(=O)NN)s1.
What is the InChIKey of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is PHMRZBFTBISWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)15(6-3-7-16)8-10-4-5-11(18-10)12(17)14-13/h4-5,9,16H,3,6-8,13H2,1-2H3,(H,14,17).
What are the key properties of 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide?
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 271.39 g/mol, XLogP of 0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 63578253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).