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

C14H17N3O2S — CID 63570034

IUPAC4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COCCCc2ccccc2)cs1
InChIInChI=1S/C14H17N3O2S/c15-17-13(18)14-16-12(10-20-14)9-19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,15H2,(H,17,18)
InChIKeyQGAWRPIHXYTXPP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.90
Rot. Bonds7

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

4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide (PubChem CID 63570034) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
PubChem CID63570034
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COCCCc2ccccc2)cs1
InChIInChI=1S/C14H17N3O2S/c15-17-13(18)14-16-12(10-20-14)9-19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,15H2,(H,17,18)
InChIKeyQGAWRPIHXYTXPP-UHFFFAOYSA-N
XLogP1.90
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63569329
3-(3-phenylpropoxymethyl)benzohydrazide
CID 63569149
4-(2-trimethylsilylethoxymethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 131747491
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63568512
[6-(3-phenylpropoxymethyl)-2-pyridinyl]methanamine
CID 106908261
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-(cyclohexyloxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63588142
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213802
4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
3-phenylpropyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66380535
(2-ethyl-1,3-thiazol-4-yl)methyl 3-phenylmethoxypropanoate
CID 60541301

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide (CID 63570034) is 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COCCCc2ccccc2)cs1.
What is the InChIKey of 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide?
The InChIKey is QGAWRPIHXYTXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-17-13(18)14-16-12(10-20-14)9-19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9,15H2,(H,17,18).
What are the key properties of 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide?
4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63570034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).