3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane

C11H17NS — CID 142074062

IUPAC3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane
SMILESC=C/C=C\N1C(=C)SC=C1C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-6-10-8(2)7-11-9(10)3;1-2/h4-7H,1,3H2,2H3;1-2H3/b6-5-;
InChIKeyFXCNXXHUEPUCIW-YSMBQZINSA-N
MW195.33 g/mol
LogP4.09
Rot. Bonds2

About 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane

3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane (PubChem CID 142074062) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane
PubChem CID142074062
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane
SMILESC=C/C=C\N1C(=C)SC=C1C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-5-6-10-8(2)7-11-9(10)3;1-2/h4-7H,1,3H2,2H3;1-2H3/b6-5-;
InChIKeyFXCNXXHUEPUCIW-YSMBQZINSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 54.09
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

CID 57163057
CID 57163057
CID 57319410
CID 57319410
CID 57622131
CID 57622131
CID 57622666
CID 57622666
CID 89288709
CID 89288709
CID 90874926
CID 90874926
CID 123962385
CID 123962385
CID 137412251
CID 137412251
CID 139381372
CID 139381372
CID 141259284
CID 141259284
CID 142198473
CID 142198473
CID 142198480
CID 142198480

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane (CID 142074062) is 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane is C=C/C=C\N1C(=C)SC=C1C.CC.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane?
The InChIKey is FXCNXXHUEPUCIW-YSMBQZINSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-5-6-10-8(2)7-11-9(10)3;1-2/h4-7H,1,3H2,2H3;1-2H3/b6-5-;.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane?
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane has a molecular weight of 195.33 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-methylidene-1,3-thiazole;ethane is sourced from PubChem (CID 142074062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).