2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide

C9H16N4OS — CID 82515623

IUPAC2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
SMILESCCN(CC)Cc1nc(C(=O)NN)cs1
InChIInChI=1S/C9H16N4OS/c1-3-13(4-2)5-8-11-7(6-15-8)9(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14)
InChIKeyFOVNATSQAPVQPE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.59
Rot. Bonds5

About 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide

2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 82515623) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID82515623
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
SMILESCCN(CC)Cc1nc(C(=O)NN)cs1
InChIInChI=1S/C9H16N4OS/c1-3-13(4-2)5-8-11-7(6-15-8)9(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14)
InChIKeyFOVNATSQAPVQPE-UHFFFAOYSA-N
XLogP0.59
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640468
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-[(dipropylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39159949
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
1-[2-[2-(diethylamino)ethyl]-1,3-thiazol-4-yl]ethanone
CID 64544411
2-(2-aminoethyl)-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-4-carboxamide
CID 66373417
2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432930
2-[[propanoyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 810497
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
2-(aminomethyl)-N-ethylsulfonyl-1,3-thiazole-4-carboxamide
CID 103307161
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-[[bis[(4-fluorophenyl)methyl]amino]methyl]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 1032477

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide (CID 82515623) is 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide is CCN(CC)Cc1nc(C(=O)NN)cs1.
What is the InChIKey of 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is FOVNATSQAPVQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-13(4-2)5-8-11-7(6-15-8)9(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14).
What are the key properties of 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide?
2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 228.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 82515623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).