1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

C15H16ClN5OS — CID 138495632

IUPAC1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2nc(Cl)cs2)n1
InChIInChI=1S/C15H16ClN5OS/c1-10-4-3-5-12(20(2)17)11(10)8-22-14-6-7-21(19-14)15-18-13(16)9-23-15/h3-7,9H,8,17H2,1-2H3
InChIKeyVRZPNSZXBWRHQD-UHFFFAOYSA-N
MW349.85 g/mol
LogP3.18
Rot. Bonds5

About 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 138495632) has the molecular formula C15H16ClN5OS and a molecular weight of 349.85 g/mol. Its IUPAC name is 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID138495632
Molecular FormulaC15H16ClN5OS
Molecular Weight349.85 g/mol
Exact Mass349.08
IUPAC Name1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2nc(Cl)cs2)n1
InChIInChI=1S/C15H16ClN5OS/c1-10-4-3-5-12(20(2)17)11(10)8-22-14-6-7-21(19-14)15-18-13(16)9-23-15/h3-7,9H,8,17H2,1-2H3
InChIKeyVRZPNSZXBWRHQD-UHFFFAOYSA-N
XLogP3.18
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.85
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine (CID 138495632) is 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is Cc1cccc(N(C)N)c1COc1ccn(-c2nc(Cl)cs2)n1.
What is the InChIKey of 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is VRZPNSZXBWRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5OS/c1-10-4-3-5-12(20(2)17)11(10)8-22-14-6-7-21(19-14)15-18-13(16)9-23-15/h3-7,9H,8,17H2,1-2H3.
What are the key properties of 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 349.85 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-(4-chloro-1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 138495632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).