N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide

C9H12N2O3S — CID 140662618

IUPACN'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide
SMILESCC(C)(O)C(=O)NNC(=O)c1ccsc1
InChIInChI=1S/C9H12N2O3S/c1-9(2,14)8(13)11-10-7(12)6-3-4-15-5-6/h3-5,14H,1-2H3,(H,10,12)(H,11,13)
InChIKeyDEDORHOFGIVXHU-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.28
Rot. Bonds2

About N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide

N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide (PubChem CID 140662618) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide
PubChem CID140662618
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide
SMILESCC(C)(O)C(=O)NNC(=O)c1ccsc1
InChIInChI=1S/C9H12N2O3S/c1-9(2,14)8(13)11-10-7(12)6-3-4-15-5-6/h3-5,14H,1-2H3,(H,10,12)(H,11,13)
InChIKeyDEDORHOFGIVXHU-UHFFFAOYSA-N
XLogP0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylpropyl)thiophene-3-carboxamide
CID 65110228
N'-(2-hydroxypropanoyl)thiophene-3-carbohydrazide
CID 140739614
N-(2-hydroxy-2,4-dimethylpentyl)thiophene-3-carboxamide
CID 66179515
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
(2S)-3,3-dimethyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 61143081
N-(3-chloro-2,2-dimethylpropyl)thiophene-3-carboxamide
CID 115364717
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-3-carboxamide
CID 90522939
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-(2-hydroxy-2,5-dimethylhexyl)thiophene-3-carboxamide
CID 111485327

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide?
The IUPAC name of N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide (CID 140662618) is N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide?
The canonical SMILES for N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide is CC(C)(O)C(=O)NNC(=O)c1ccsc1.
What is the InChIKey of N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide?
The InChIKey is DEDORHOFGIVXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-9(2,14)8(13)11-10-7(12)6-3-4-15-5-6/h3-5,14H,1-2H3,(H,10,12)(H,11,13).
What are the key properties of N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide?
N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide has a molecular weight of 228.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide is sourced from PubChem (CID 140662618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).