5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide

C10H13N3OS — CID 83023048

IUPAC5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
SMILESCN(C)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C10H13N3OS/c1-13(2)12-10(14)9-6-5-8(15-9)4-3-7-11/h5-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyPWMWHZXJIPMQKD-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.26
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide

5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide (PubChem CID 83023048) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
PubChem CID83023048
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide
SMILESCN(C)NC(=O)c1ccc(C#CCN)s1
InChIInChI=1S/C10H13N3OS/c1-13(2)12-10(14)9-6-5-8(15-9)4-3-7-11/h5-6H,7,11H2,1-2H3,(H,12,14)
InChIKeyPWMWHZXJIPMQKD-UHFFFAOYSA-N
XLogP0.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 61479130
5-(3-aminoprop-1-ynyl)-N-butan-2-ylthiophene-2-carboxamide
CID 61075649
5-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102907704
5-(3-aminoprop-1-ynyl)-N-pentylthiophene-2-carboxamide
CID 61074576
5-(3-aminoprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 61074964
5-(3-aminoprop-1-ynyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 61075844
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63961405
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethylcyclohexyl)thiophene-2-carboxamide
CID 64733139
5-(3-aminoprop-1-ynyl)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 61075838
5-(3-aminoprop-1-ynyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylthiophene-2-carboxamide
CID 113476135
5-(3-aminoprop-1-ynyl)-N-(1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 63010792
5-(3-aminoprop-1-ynyl)-N-(4-propylphenyl)thiophene-2-carboxamide
CID 61076019

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide (CID 83023048) is 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide is CN(C)NC(=O)c1ccc(C#CCN)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide?
The InChIKey is PWMWHZXJIPMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-13(2)12-10(14)9-6-5-8(15-9)4-3-7-11/h5-6H,7,11H2,1-2H3,(H,12,14).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide?
5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide has a molecular weight of 223.30 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N',N'-dimethylthiophene-2-carbohydrazide is sourced from PubChem (CID 83023048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).