4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane

C8H14N4S — CID 131111057

IUPAC4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
SMILESCC1CCSC(c2cnn(C)n2)N1
InChIInChI=1S/C8H14N4S/c1-6-3-4-13-8(10-6)7-5-9-12(2)11-7/h5-6,8,10H,3-4H2,1-2H3
InChIKeyKGJVFUMYTQDRRI-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.93
Rot. Bonds1

About 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane

4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane (PubChem CID 131111057) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane.

Molecular Properties

Compound Name4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
PubChem CID131111057
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
SMILESCC1CCSC(c2cnn(C)n2)N1
InChIInChI=1S/C8H14N4S/c1-6-3-4-13-8(10-6)7-5-9-12(2)11-7/h5-6,8,10H,3-4H2,1-2H3
InChIKeyKGJVFUMYTQDRRI-UHFFFAOYSA-N
XLogP0.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-bis(butylsulfanyl)-N-(2H-triazol-4-ylmethyl)propan-1-amine
CID 87429445
3-(2H-triazol-4-yl)thiomorpholine
CID 173186875
N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]ethanamine
CID 55074770
N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62418855
N-[[1-(2-thiomorpholin-4-ylethyl)triazol-4-yl]methyl]propan-2-amine
CID 62419045
N-[[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 64052209
2-methyl-N-[[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 64052210
N-methyl-1-[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methanamine
CID 64052406
N-[[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 64052407
N-[[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 64052622
2-methyl-N-[[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 64052623
N-[[1-[2-(3-methylthiomorpholin-4-yl)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 64053232

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
The IUPAC name of 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane (CID 131111057) is 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane.
What is the SMILES notation for 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
The canonical SMILES for 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane is CC1CCSC(c2cnn(C)n2)N1.
What is the InChIKey of 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
The InChIKey is KGJVFUMYTQDRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-3-4-13-8(10-6)7-5-9-12(2)11-7/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane?
4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane has a molecular weight of 198.29 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane is sourced from PubChem (CID 131111057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).