5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide

C14H17N3OS — CID 59611644

IUPAC5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
SMILESCC(C)c1ccc(C(=O)N(N)Cc2ccncc2)s1
InChIInChI=1S/C14H17N3OS/c1-10(2)12-3-4-13(19-12)14(18)17(15)9-11-5-7-16-8-6-11/h3-8,10H,9,15H2,1-2H3
InChIKeyVVBQTAVYBVCYOI-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.78
Rot. Bonds4

About 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide

5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide (PubChem CID 59611644) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
PubChem CID59611644
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide
SMILESCC(C)c1ccc(C(=O)N(N)Cc2ccncc2)s1
InChIInChI=1S/C14H17N3OS/c1-10(2)12-3-4-13(19-12)14(18)17(15)9-11-5-7-16-8-6-11/h3-8,10H,9,15H2,1-2H3
InChIKeyVVBQTAVYBVCYOI-UHFFFAOYSA-N
XLogP2.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
CID 59611643
N-butan-2-yl-5-chloro-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 46997041
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777
2-amino-N-[(4-fluorophenyl)methyl]-6-propan-2-yl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 131925543
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
N-methoxy-5-propan-2-ylthiophene-2-carboxamide
CID 130679310
(2S)-N-methyl-2-methylsulfanyl-N-(pyridin-4-ylmethyl)propanamide
CID 94155976
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62685944
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide (CID 59611644) is 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide is CC(C)c1ccc(C(=O)N(N)Cc2ccncc2)s1.
What is the InChIKey of 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide?
The InChIKey is VVBQTAVYBVCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(2)12-3-4-13(19-12)14(18)17(15)9-11-5-7-16-8-6-11/h3-8,10H,9,15H2,1-2H3.
What are the key properties of 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide?
5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide has a molecular weight of 275.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(pyridin-4-ylmethyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 59611644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).