N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide

C13H21N3O3S — CID 62016772

IUPACN'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
SMILESCC(C)N(CCCO)CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H21N3O3S/c1-10(2)16(6-4-7-17)9-12(18)14-15-13(19)11-5-3-8-20-11/h3,5,8,10,17H,4,6-7,9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyTZMNGEIVCAEYOE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.60
Rot. Bonds7

About N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide

N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide (PubChem CID 62016772) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
PubChem CID62016772
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
SMILESCC(C)N(CCCO)CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C13H21N3O3S/c1-10(2)16(6-4-7-17)9-12(18)14-15-13(19)11-5-3-8-20-11/h3,5,8,10,17H,4,6-7,9H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyTZMNGEIVCAEYOE-UHFFFAOYSA-N
XLogP0.60
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 60686825
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028
N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 61039914
N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 115927504
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
N-(4-hydroxybutan-2-yl)thiophene-2-carboxamide
CID 81041290
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide (CID 62016772) is N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide is CC(C)N(CCCO)CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide?
The InChIKey is TZMNGEIVCAEYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)16(6-4-7-17)9-12(18)14-15-13(19)11-5-3-8-20-11/h3,5,8,10,17H,4,6-7,9H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide?
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide has a molecular weight of 299.40 g/mol, XLogP of 0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 62016772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).