2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide

C12H22N4OS — CID 82432930

IUPAC2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(CN(CC)CC)sc1C(=O)NN
InChIInChI=1S/C12H22N4OS/c1-4-7-9-11(12(17)15-13)18-10(14-9)8-16(5-2)6-3/h4-8,13H2,1-3H3,(H,15,17)
InChIKeyKYHWOWNWGOTQLV-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.54
Rot. Bonds7

About 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide

2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82432930) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
PubChem CID82432930
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(CN(CC)CC)sc1C(=O)NN
InChIInChI=1S/C12H22N4OS/c1-4-7-9-11(12(17)15-13)18-10(14-9)8-16(5-2)6-3/h4-8,13H2,1-3H3,(H,15,17)
InChIKeyKYHWOWNWGOTQLV-UHFFFAOYSA-N
XLogP1.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.54
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-(diethylaminomethyl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432920
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
2-pentan-3-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432460
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431851
1-[2-(diethylaminomethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 82441470
2-(diethylaminomethyl)-1,3-thiazole-4-carbohydrazide
CID 82515623
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82433411
2-[[butyl(ethyl)amino]methyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 82227238
2-(2-methoxyethyl)-4-(methoxymethyl)-1,3-thiazole-5-carbohydrazide
CID 82440072
4-ethyl-2-(methylsulfonylmethyl)-1,3-thiazole-5-carbohydrazide
CID 82429378
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazole-5-carboximidamide
CID 82433107

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide (CID 82432930) is 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide is CCCc1nc(CN(CC)CC)sc1C(=O)NN.
What is the InChIKey of 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is KYHWOWNWGOTQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-4-7-9-11(12(17)15-13)18-10(14-9)8-16(5-2)6-3/h4-8,13H2,1-3H3,(H,15,17).
What are the key properties of 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 270.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82432930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).