N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide

C11H18N2OS — CID 9179994

IUPACN',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
SMILESCCCc1cc(C(=O)NN(C)C)sc1C
InChIInChI=1S/C11H18N2OS/c1-5-6-9-7-10(15-8(9)2)11(14)12-13(3)4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyGRCHGGFTUCRHGL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.22
Rot. Bonds4

About N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide

N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide (PubChem CID 9179994) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
PubChem CID9179994
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
SMILESCCCc1cc(C(=O)NN(C)C)sc1C
InChIInChI=1S/C11H18N2OS/c1-5-6-9-7-10(15-8(9)2)11(14)12-13(3)4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyGRCHGGFTUCRHGL-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
(2R)-2-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 54991565
N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
2-methyl-2-[methyl-(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 62818470
N-[1-(hydroxymethyl)cyclobutyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 115878236
N-[1-(hydroxymethyl)cyclohexyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 62519680
3-methyl-5-[(5-methyl-4-propylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43356574

Frequently Asked Questions

What is the IUPAC name of N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide?
The IUPAC name of N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide (CID 9179994) is N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide.
What is the SMILES notation for N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide?
The canonical SMILES for N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide is CCCc1cc(C(=O)NN(C)C)sc1C.
What is the InChIKey of N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide?
The InChIKey is GRCHGGFTUCRHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-5-6-9-7-10(15-8(9)2)11(14)12-13(3)4/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide?
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide has a molecular weight of 226.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide is sourced from PubChem (CID 9179994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).