1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine

C15H17N5OS — CID 138495663

IUPAC1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2nccs2)n1
InChIInChI=1S/C15H17N5OS/c1-11-4-3-5-13(19(2)16)12(11)10-21-14-6-8-20(18-14)15-17-7-9-22-15/h3-9H,10,16H2,1-2H3
InChIKeyCFWXYVNCLKTMFW-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.53
Rot. Bonds5

About 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine

1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine (PubChem CID 138495663) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
PubChem CID138495663
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine
SMILESCc1cccc(N(C)N)c1COc1ccn(-c2nccs2)n1
InChIInChI=1S/C15H17N5OS/c1-11-4-3-5-13(19(2)16)12(11)10-21-14-6-8-20(18-14)15-17-7-9-22-15/h3-9H,10,16H2,1-2H3
InChIKeyCFWXYVNCLKTMFW-UHFFFAOYSA-N
XLogP2.53
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.53
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-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine (CID 138495663) is 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine is Cc1cccc(N(C)N)c1COc1ccn(-c2nccs2)n1.
What is the InChIKey of 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
The InChIKey is CFWXYVNCLKTMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-11-4-3-5-13(19(2)16)12(11)10-21-14-6-8-20(18-14)15-17-7-9-22-15/h3-9H,10,16H2,1-2H3.
What are the key properties of 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine?
1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine has a molecular weight of 315.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-methyl-2-[[1-(1,3-thiazol-2-yl)pyrazol-3-yl]oxymethyl]phenyl]hydrazine is sourced from PubChem (CID 138495663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).