2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide

C10H17N3O2S2 — CID 133474518

IUPAC2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nnc(N2CCS(=O)(=O)C(C)C2)s1
InChIInChI=1S/C10H17N3O2S2/c1-7(2)9-11-12-10(16-9)13-4-5-17(14,15)8(3)6-13/h7-8H,4-6H2,1-3H3
InChIKeyJMTOSQPBLIIYIC-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide

2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 133474518) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID133474518
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nnc(N2CCS(=O)(=O)C(C)C2)s1
InChIInChI=1S/C10H17N3O2S2/c1-7(2)9-11-12-10(16-9)13-4-5-17(14,15)8(3)6-13/h7-8H,4-6H2,1-3H3
InChIKeyJMTOSQPBLIIYIC-UHFFFAOYSA-N
XLogP1.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 133365832
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CID 133383751
N-tert-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 155799761
2-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133431393
(3R,4R)-4-cyclobutyl-3-methyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 70721674
2-propan-2-yl-5-(3-prop-2-enoxypyrrolidin-1-yl)-1,3,4-thiadiazole
CID 133465482
2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133382514
[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 136514994
(4aS,8aS)-7-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,2,3,4,5,6,8,8a-octahydro-2,7-naphthyridin-4a-ol
CID 72879906
formic acid;2-methyl-9-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-4-ol
CID 172912332
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133461008
ethyl 1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 133365960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide (CID 133474518) is 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide is CC(C)c1nnc(N2CCS(=O)(=O)C(C)C2)s1.
What is the InChIKey of 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is JMTOSQPBLIIYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-7(2)9-11-12-10(16-9)13-4-5-17(14,15)8(3)6-13/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide?
2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 275.40 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 133474518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).