6,6-dimethyl-4-propan-2-ylthiadiazine

C8H14N2S — CID 143950658

IUPAC6,6-dimethyl-4-propan-2-ylthiadiazine
SMILESCC(C)C1=CC(C)(C)SN=N1
InChIInChI=1S/C8H14N2S/c1-6(2)7-5-8(3,4)11-10-9-7/h5-6H,1-4H3
InChIKeyFPXPQGGNTHBEFN-UHFFFAOYSA-N
MW170.28 g/mol
LogP3.42
Rot. Bonds1

About 6,6-dimethyl-4-propan-2-ylthiadiazine

6,6-dimethyl-4-propan-2-ylthiadiazine (PubChem CID 143950658) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 6,6-dimethyl-4-propan-2-ylthiadiazine.

Molecular Properties

Compound Name6,6-dimethyl-4-propan-2-ylthiadiazine
PubChem CID143950658
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name6,6-dimethyl-4-propan-2-ylthiadiazine
SMILESCC(C)C1=CC(C)(C)SN=N1
InChIInChI=1S/C8H14N2S/c1-6(2)7-5-8(3,4)11-10-9-7/h5-6H,1-4H3
InChIKeyFPXPQGGNTHBEFN-UHFFFAOYSA-N
XLogP3.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 123393749
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N-cyclopropyl-5,5-dimethyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)thian-3-amine
CID 79946535
fluoromethane;2-propan-2-ylpyrimidine
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6-propan-2-yl-3,4-dihydropyridazine
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2,5-di(propan-2-yl)thiophene
CID 6429946
3-methyl-6-propan-2-yl-3,4-dihydropyridazine
CID 89150342
(8-methyl-4-propan-2-ylpyridazino[6,1-c][1,2,4]triazin-8-yl)phosphane
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3-propan-2-ylbenzene-1,2,4-triamine
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5-propan-2-ylfuran-2-thiol
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(2Z,5Z)-4,7,7-trimethyl-2-propan-2-yl-4H-azocine
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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-propan-2-ylthiadiazine?
The IUPAC name of 6,6-dimethyl-4-propan-2-ylthiadiazine (CID 143950658) is 6,6-dimethyl-4-propan-2-ylthiadiazine.
What is the SMILES notation for 6,6-dimethyl-4-propan-2-ylthiadiazine?
The canonical SMILES for 6,6-dimethyl-4-propan-2-ylthiadiazine is CC(C)C1=CC(C)(C)SN=N1.
What is the InChIKey of 6,6-dimethyl-4-propan-2-ylthiadiazine?
The InChIKey is FPXPQGGNTHBEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)7-5-8(3,4)11-10-9-7/h5-6H,1-4H3.
What are the key properties of 6,6-dimethyl-4-propan-2-ylthiadiazine?
6,6-dimethyl-4-propan-2-ylthiadiazine has a molecular weight of 170.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-propan-2-ylthiadiazine is sourced from PubChem (CID 143950658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).