[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine

C10H14F3N3S3 — CID 106786987

IUPAC[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESCC1SCCSC1C(NN)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3S3/c1-5-8(18-3-2-17-5)7(16-14)6-4-15-9(19-6)10(11,12)13/h4-5,7-8,16H,2-3,14H2,1H3
InChIKeyQFAKMDDYMWGJOP-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.90
Rot. Bonds3

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

[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (PubChem CID 106786987) has the molecular formula C10H14F3N3S3 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
PubChem CID106786987
Molecular FormulaC10H14F3N3S3
Molecular Weight329.44 g/mol
Exact Mass329.03
IUPAC Name[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
SMILESCC1SCCSC1C(NN)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3S3/c1-5-8(18-3-2-17-5)7(16-14)6-4-15-9(19-6)10(11,12)13/h4-5,7-8,16H,2-3,14H2,1H3
InChIKeyQFAKMDDYMWGJOP-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.90
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

[(3-methylcyclopentyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786852
[2,3-dihydro-1H-inden-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106786856
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethylhydrazine
CID 106786712
N-[thiolan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783552
[(1,1-dioxothian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787272
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[2-(thian-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]hydrazine
CID 106787152
[(3-methyl-1,4-dithian-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105259576
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
thian-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783553
(4-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783141
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 106785515

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The IUPAC name of [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine (CID 106786987) is [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine.
What is the SMILES notation for [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The canonical SMILES for [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is CC1SCCSC1C(NN)c1cnc(C(F)(F)F)s1.
What is the InChIKey of [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
The InChIKey is QFAKMDDYMWGJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S3/c1-5-8(18-3-2-17-5)7(16-14)6-4-15-9(19-6)10(11,12)13/h4-5,7-8,16H,2-3,14H2,1H3.
What are the key properties of [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine?
[(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine has a molecular weight of 329.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-1,4-dithian-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine is sourced from PubChem (CID 106786987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).