5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide

C13H15N3OS — CID 59611645

IUPAC5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide
SMILESCC(C)c1ccc(C(=O)NNc2ccccn2)s1
InChIInChI=1S/C13H15N3OS/c1-9(2)10-6-7-11(18-10)13(17)16-15-12-5-3-4-8-14-12/h3-9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyBHFMGZLRURBZAI-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.02
Rot. Bonds4

About 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide

5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide (PubChem CID 59611645) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide
PubChem CID59611645
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide
SMILESCC(C)c1ccc(C(=O)NNc2ccccn2)s1
InChIInChI=1S/C13H15N3OS/c1-9(2)10-6-7-11(18-10)13(17)16-15-12-5-3-4-8-14-12/h3-9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyBHFMGZLRURBZAI-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
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-methoxy-5-propan-2-ylthiophene-2-carboxamide
CID 130679310
N'-pyridin-2-yl-2-(trifluoromethyl)benzohydrazide
CID 175943084
N'-pyridin-2-ylpyridine-3-carbohydrazide
CID 69416476
2-(1-aminopropan-2-ylsulfanyl)-N'-pyridin-2-ylacetohydrazide
CID 66244360
(2S)-2-[2-oxo-2-(2-pyridin-2-ylhydrazinyl)ethoxy]propanoic acid
CID 104876174
1-(dimethylamino)-3-(pyridin-2-ylamino)urea
CID 23526167
N'-(4-propan-2-ylphenyl)pyridine-2-carbohydrazide
CID 171665742
1-(2-chloroethyl)-3-(pyridin-2-ylamino)urea
CID 10680176
2,5-di(propan-2-yl)thiophene
CID 6429946
2-chloro-N-pyridin-2-ylpropanamide
CID 16789014
1-(pyridin-2-ylamino)ethanol
CID 20521375
1-naphthalen-2-yl-3-(pyridin-2-ylamino)urea
CID 6611623

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
The IUPAC name of 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide (CID 59611645) is 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
The canonical SMILES for 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide is CC(C)c1ccc(C(=O)NNc2ccccn2)s1.
What is the InChIKey of 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
The InChIKey is BHFMGZLRURBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(2)10-6-7-11(18-10)13(17)16-15-12-5-3-4-8-14-12/h3-9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide?
5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide has a molecular weight of 261.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N'-pyridin-2-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 59611645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).