[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine

C15H21N3O2S — CID 94775314

IUPAC[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
SMILESCCCCOc1cc(-c2sc(NN)nc2C)ccc1OC
InChIInChI=1S/C15H21N3O2S/c1-4-5-8-20-13-9-11(6-7-12(13)19-3)14-10(2)17-15(18-16)21-14/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyRPVDEPQGWAHRCQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.59
Rot. Bonds7

About [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine

[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine (PubChem CID 94775314) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
PubChem CID94775314
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
SMILESCCCCOc1cc(-c2sc(NN)nc2C)ccc1OC
InChIInChI=1S/C15H21N3O2S/c1-4-5-8-20-13-9-11(6-7-12(13)19-3)14-10(2)17-15(18-16)21-14/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyRPVDEPQGWAHRCQ-UHFFFAOYSA-N
XLogP3.59
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

[5-(3-ethoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775313
5-(4-methoxy-3-pentoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 82160764
N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 94774414
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82160641
5-(4-butoxy-3-methoxyphenyl)-1,3-thiazol-2-amine
CID 164893864
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 175592107
5-(4-ethyl-3-methoxyphenyl)-2,4-dimethyl-1,3-thiazole
CID 90292646
2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 82152374
2-[2-[2-(3-butoxy-4-methoxyphenyl)-5-propyl-1,3-thiazol-4-yl]ethyl]pyrimidine-4,6-diamine
CID 122492018

Frequently Asked Questions

What is the IUPAC name of [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine (CID 94775314) is [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine is CCCCOc1cc(-c2sc(NN)nc2C)ccc1OC.
What is the InChIKey of [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
The InChIKey is RPVDEPQGWAHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-5-8-20-13-9-11(6-7-12(13)19-3)14-10(2)17-15(18-16)21-14/h6-7,9H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine?
[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine has a molecular weight of 307.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 94775314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).