2-amino-5-propylthiophene-3-carbohydrazide

C8H13N3OS — CID 42583185

IUPAC2-amino-5-propylthiophene-3-carbohydrazide
SMILESCCCc1cc(C(=O)NN)c(N)s1
InChIInChI=1S/C8H13N3OS/c1-2-3-5-4-6(7(9)13-5)8(12)11-10/h4H,2-3,9-10H2,1H3,(H,11,12)
InChIKeyBREUNQUGYROUHX-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.89
Rot. Bonds3

About 2-amino-5-propylthiophene-3-carbohydrazide

2-amino-5-propylthiophene-3-carbohydrazide (PubChem CID 42583185) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-amino-5-propylthiophene-3-carbohydrazide.

Molecular Properties

Compound Name2-amino-5-propylthiophene-3-carbohydrazide
PubChem CID42583185
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-amino-5-propylthiophene-3-carbohydrazide
SMILESCCCc1cc(C(=O)NN)c(N)s1
InChIInChI=1S/C8H13N3OS/c1-2-3-5-4-6(7(9)13-5)8(12)11-10/h4H,2-3,9-10H2,1H3,(H,11,12)
InChIKeyBREUNQUGYROUHX-UHFFFAOYSA-N
XLogP0.89
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
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

2-amino-5-hexyl-N-propan-2-ylthiophene-3-carboxamide
CID 43367229
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
(2-amino-5-propylthiophen-3-yl)-(3-chlorophenyl)methanone
CID 102371413
ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
CID 84750743
2-(carbamoylamino)-5-propylthiophene-3-carboxamide
CID 91098871
2-acetamido-5-propylthiophene-3-carboxamide
CID 1246587
tert-butyl 2-amino-5-decylthiophene-3-carboxylate
CID 21030833
(2-amino-5-hexylthiophen-3-yl)-piperidin-1-ylmethanone
CID 43367352
(2-amino-5-hexylthiophen-3-yl)-morpholin-4-ylmethanone
CID 43367367
2-propylbenzohydrazide
CID 140653675
methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
CID 118053542
2-chloro-4-propylbenzohydrazide
CID 138958414

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propylthiophene-3-carbohydrazide?
The IUPAC name of 2-amino-5-propylthiophene-3-carbohydrazide (CID 42583185) is 2-amino-5-propylthiophene-3-carbohydrazide.
What is the SMILES notation for 2-amino-5-propylthiophene-3-carbohydrazide?
The canonical SMILES for 2-amino-5-propylthiophene-3-carbohydrazide is CCCc1cc(C(=O)NN)c(N)s1.
What is the InChIKey of 2-amino-5-propylthiophene-3-carbohydrazide?
The InChIKey is BREUNQUGYROUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-3-5-4-6(7(9)13-5)8(12)11-10/h4H,2-3,9-10H2,1H3,(H,11,12).
What are the key properties of 2-amino-5-propylthiophene-3-carbohydrazide?
2-amino-5-propylthiophene-3-carbohydrazide has a molecular weight of 199.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propylthiophene-3-carbohydrazide is sourced from PubChem (CID 42583185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).