ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole

C13H21NS — CID 144533382

IUPACethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1scnc1C(=C)C(C)C.CC
InChIInChI=1S/C11H15NS.C2H6/c1-7(2)9(5)10-11(8(3)4)13-6-12-10;1-2/h6-7H,3,5H2,1-2,4H3;1-2H3
InChIKeyWLIBTMFPGZAUHE-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.87
Rot. Bonds3

About ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole

ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole (PubChem CID 144533382) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole
PubChem CID144533382
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Nameethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1scnc1C(=C)C(C)C.CC
InChIInChI=1S/C11H15NS.C2H6/c1-7(2)9(5)10-11(8(3)4)13-6-12-10;1-2/h6-7H,3,5H2,1-2,4H3;1-2H3
InChIKeyWLIBTMFPGZAUHE-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole?
The IUPAC name of ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole (CID 144533382) is ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole?
The canonical SMILES for ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole is C=C(C)c1scnc1C(=C)C(C)C.CC.
What is the InChIKey of ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole?
The InChIKey is WLIBTMFPGZAUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS.C2H6/c1-7(2)9(5)10-11(8(3)4)13-6-12-10;1-2/h6-7H,3,5H2,1-2,4H3;1-2H3.
What are the key properties of ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole?
ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole has a molecular weight of 223.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 144533382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).