[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine

C12H15BrN4S2 — CID 105342086

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1cc2c(s1)CCSC2
InChIInChI=1S/C12H15BrN4S2/c1-17-12(8(13)5-15-17)11(16-14)10-4-7-6-18-3-2-9(7)19-10/h4-5,11,16H,2-3,6,14H2,1H3
InChIKeyISOIIUQWESFYRW-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.59
Rot. Bonds3

About [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine (PubChem CID 105342086) has the molecular formula C12H15BrN4S2 and a molecular weight of 359.32 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
PubChem CID105342086
Molecular FormulaC12H15BrN4S2
Molecular Weight359.32 g/mol
Exact Mass357.99
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1cc2c(s1)CCSC2
InChIInChI=1S/C12H15BrN4S2/c1-17-12(8(13)5-15-17)11(16-14)10-4-7-6-18-3-2-9(7)19-10/h4-5,11,16H,2-3,6,14H2,1H3
InChIKeyISOIIUQWESFYRW-UHFFFAOYSA-N
XLogP2.59
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105042185
[(4-bromothiophen-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 105322532
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 115835447
(4-bromo-1-ethylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanol
CID 115834814
[(4-bromo-1-methylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105342289
[(4-bromo-1-methylpyrazol-5-yl)-(5-bromothiophen-2-yl)methyl]hydrazine
CID 105222214
[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312835
[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322322
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025947
[(4-chloro-1-methylpyrazol-5-yl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105338959
[(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 107562677
1-(5-bromothiophen-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 81261725

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine (CID 105342086) is [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine is Cn1ncc(Br)c1C(NN)c1cc2c(s1)CCSC2.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
The InChIKey is ISOIIUQWESFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S2/c1-17-12(8(13)5-15-17)11(16-14)10-4-7-6-18-3-2-9(7)19-10/h4-5,11,16H,2-3,6,14H2,1H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine has a molecular weight of 359.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105342086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).