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

C14H17N3O2S — CID 82432630

IUPAC2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(-c2cccc(OC)c2)sc1C(=O)NN
InChIInChI=1S/C14H17N3O2S/c1-3-5-11-12(13(18)17-15)20-14(16-11)9-6-4-7-10(8-9)19-2/h4,6-8H,3,5,15H2,1-2H3,(H,17,18)
InChIKeyWFSFPKYDDRHEGN-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.37
Rot. Bonds5

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

2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide (PubChem CID 82432630) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
PubChem CID82432630
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide
SMILESCCCc1nc(-c2cccc(OC)c2)sc1C(=O)NN
InChIInChI=1S/C14H17N3O2S/c1-3-5-11-12(13(18)17-15)20-14(16-11)9-6-4-7-10(8-9)19-2/h4,6-8H,3,5,15H2,1-2H3,(H,17,18)
InChIKeyWFSFPKYDDRHEGN-UHFFFAOYSA-N
XLogP2.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.37
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

methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114374877
2-[2-(3-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-ol
CID 82432624
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82440233
2-(dimethylamino)-1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 143281589
N,4-dimethoxy-2-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 118609153
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 82302253

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide (CID 82432630) is 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide is CCCc1nc(-c2cccc(OC)c2)sc1C(=O)NN.
What is the InChIKey of 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is WFSFPKYDDRHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-5-11-12(13(18)17-15)20-14(16-11)9-6-4-7-10(8-9)19-2/h4,6-8H,3,5,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide?
2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 291.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-propyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82432630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).