3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide

C10H13NO2S — CID 142275683

IUPAC3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide
SMILESC/C=C\C=C/C1=C(C)C(C)=NS1(=O)=O
InChIInChI=1S/C10H13NO2S/c1-4-5-6-7-10-8(2)9(3)11-14(10,12)13/h4-7H,1-3H3/b5-4-,7-6-
InChIKeyMOUOHLNHQSKZAJ-RZSVFLSASA-N
MW211.29 g/mol
LogP2.20
Rot. Bonds2

About 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide

3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide (PubChem CID 142275683) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide
PubChem CID142275683
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide
SMILESC/C=C\C=C/C1=C(C)C(C)=NS1(=O)=O
InChIInChI=1S/C10H13NO2S/c1-4-5-6-7-10-8(2)9(3)11-14(10,12)13/h4-7H,1-3H3/b5-4-,7-6-
InChIKeyMOUOHLNHQSKZAJ-RZSVFLSASA-N
XLogP2.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethyl-1,2-thiazole 1,1-dioxide
CID 21366710
1,2-Dihydrobenzo[c][2,1]benzothiazepine 5,5-dioxide
CID 70981164
(3-Methylhexa-3,5-dien-2-ylideneamino) methanesulfonate
CID 139841546
3-Methyl-2,1-benzothiazole 2,2-dioxide
CID 141007286
3-Methyl-2,1-benzothiazole 2-oxide
CID 141403172
(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide
CID 143206007
(Propan-2-ylideneamino) cyclopenta-1,3-diene-1-sulfonate
CID 150837696
6-Methyl-2,1-benzothiazole 2,2-dioxide
CID 170555206
6-Methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonyl chloride
CID 173465467
5-Methylidene-6-methylsulfanyliminocyclohexa-1,3-diene-1-sulfinate
CID 173855548
N-cyclopent-2-en-1-ylidene-2-methylpropane-2-sulfonamide
CID 125476582
(NZ)-N-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-ene-1-sulfonamide
CID 177482483

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide?
The IUPAC name of 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide (CID 142275683) is 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide is C/C=C\C=C/C1=C(C)C(C)=NS1(=O)=O.
What is the InChIKey of 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide?
The InChIKey is MOUOHLNHQSKZAJ-RZSVFLSASA-N. The full InChI is InChI=1S/C10H13NO2S/c1-4-5-6-7-10-8(2)9(3)11-14(10,12)13/h4-7H,1-3H3/b5-4-,7-6-.
What are the key properties of 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide?
3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide has a molecular weight of 211.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 142275683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).