3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide

C9H10N4OS — CID 63640929

IUPAC3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1ccnc1
InChIInChI=1S/C9H10N4OS/c10-12-9(14)8-7(1-4-15-8)5-13-3-2-11-6-13/h1-4,6H,5,10H2,(H,12,14)
InChIKeyFLNBWMPJFPNSSK-UHFFFAOYSA-N
MW222.27 g/mol
LogP0.60
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide

3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide (PubChem CID 63640929) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide
PubChem CID63640929
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide
SMILESNNC(=O)c1sccc1Cn1ccnc1
InChIInChI=1S/C9H10N4OS/c10-12-9(14)8-7(1-4-15-8)5-13-3-2-11-6-13/h1-4,6H,5,10H2,(H,12,14)
InChIKeyFLNBWMPJFPNSSK-UHFFFAOYSA-N
XLogP0.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
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

3-(imidazol-1-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 55214028
3-[(5-phenyltetrazol-2-yl)methyl]thiophene-2-carbohydrazide
CID 63640410
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63640027
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]thiophene-2-carbohydrazide
CID 63639887
3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63640244
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
[2-(imidazol-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244451
2-(imidazol-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 131142423
N-[[1-[[2-(hydrazinecarbonyl)thiophen-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 102737029
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
3-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)methyl]thiophene-2-carbohydrazide
CID 103198399
2-[3-fluoro-4-(imidazol-1-ylmethyl)phenyl]acetic acid
CID 171617123

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide (CID 63640929) is 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide is NNC(=O)c1sccc1Cn1ccnc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide?
The InChIKey is FLNBWMPJFPNSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c10-12-9(14)8-7(1-4-15-8)5-13-3-2-11-6-13/h1-4,6H,5,10H2,(H,12,14).
What are the key properties of 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide?
3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide has a molecular weight of 222.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 63640929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).