N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide

C11H17N3O4S — CID 60686825

IUPACN'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN(CCO)CCO)NNC(=O)c1cccs1
InChIInChI=1S/C11H17N3O4S/c15-5-3-14(4-6-16)8-10(17)12-13-11(18)9-2-1-7-19-9/h1-2,7,15-16H,3-6,8H2,(H,12,17)(H,13,18)
InChIKeyIFLFPNBUJRNJPK-UHFFFAOYSA-N
MW287.34 g/mol
LogP-1.20
Rot. Bonds7

About N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide

N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide (PubChem CID 60686825) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
PubChem CID60686825
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN(CCO)CCO)NNC(=O)c1cccs1
InChIInChI=1S/C11H17N3O4S/c15-5-3-14(4-6-16)8-10(17)12-13-11(18)9-2-1-7-19-9/h1-2,7,15-16H,3-6,8H2,(H,12,17)(H,13,18)
InChIKeyIFLFPNBUJRNJPK-UHFFFAOYSA-N
XLogP-1.20
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 115927504
N'-[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]thiophene-2-carbohydrazide
CID 62016772
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide (CID 60686825) is N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide is O=C(CN(CCO)CCO)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
The InChIKey is IFLFPNBUJRNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c15-5-3-14(4-6-16)8-10(17)12-13-11(18)9-2-1-7-19-9/h1-2,7,15-16H,3-6,8H2,(H,12,17)(H,13,18).
What are the key properties of N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide?
N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide has a molecular weight of 287.34 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(2-hydroxyethyl)amino]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 60686825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).