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

C14H20N4S2 — CID 103025947

IUPAC[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H20N4S2/c1-18-11(4-6-16-18)2-3-12(17-15)14-8-10-9-19-7-5-13(10)20-14/h4,6,8,12,17H,2-3,5,7,9,15H2,1H3
InChIKeyKNQFPCNVEMCIJV-UHFFFAOYSA-N
MW308.48 g/mol
LogP2.41
Rot. Bonds5

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

[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (PubChem CID 103025947) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
PubChem CID103025947
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
SMILESCn1nccc1CCC(NN)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H20N4S2/c1-18-11(4-6-16-18)2-3-12(17-15)14-8-10-9-19-7-5-13(10)20-14/h4,6,8,12,17H,2-3,5,7,9,15H2,1H3
InChIKeyKNQFPCNVEMCIJV-UHFFFAOYSA-N
XLogP2.41
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 52.41
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'}

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Related Compounds

[1-(4-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026739
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030438
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997944
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305244
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297674
[(4-bromo-1-methylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 105342086
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861137
[2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethyl]hydrazine
CID 105295023
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 107948596
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 81260992
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822265
[1-(1,3-dimethylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026121

Frequently Asked Questions

What is the IUPAC name of [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The IUPAC name of [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine (CID 103025947) is [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine.
What is the SMILES notation for [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The canonical SMILES for [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is Cn1nccc1CCC(NN)c1cc2c(s1)CCSC2.
What is the InChIKey of [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
The InChIKey is KNQFPCNVEMCIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-18-11(4-6-16-18)2-3-12(17-15)14-8-10-9-19-7-5-13(10)20-14/h4,6,8,12,17H,2-3,5,7,9,15H2,1H3.
What are the key properties of [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine?
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine has a molecular weight of 308.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine is sourced from PubChem (CID 103025947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).