2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide

C15H19N3O2S — CID 82431851

IUPAC2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(COc2ccc(C)cc2)sc1C(=O)NN
InChIInChI=1S/C15H19N3O2S/c1-3-4-12-14(15(19)18-16)21-13(17-12)9-20-11-7-5-10(2)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,18,19)
InChIKeyXUXKUHSCLRTAEZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.59
Rot. Bonds6

About 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide

2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82431851) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
PubChem CID82431851
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(COc2ccc(C)cc2)sc1C(=O)NN
InChIInChI=1S/C15H19N3O2S/c1-3-4-12-14(15(19)18-16)21-13(17-12)9-20-11-7-5-10(2)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,18,19)
InChIKeyXUXKUHSCLRTAEZ-UHFFFAOYSA-N
XLogP2.59
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.59
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

4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428854
N-[[2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431840
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
4-methyl-2-[(4-methylphenoxy)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 30587985
4-ethyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82428920
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
2-(diethylaminomethyl)-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82432930
2-[(4-fluorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434266
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753393

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide (CID 82431851) is 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide is CCCc1nc(COc2ccc(C)cc2)sc1C(=O)NN.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is XUXKUHSCLRTAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-12-14(15(19)18-16)21-13(17-12)9-20-11-7-5-10(2)6-8-11/h5-8H,3-4,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide?
2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 305.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82431851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).