(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole

C11H15NS — CID 139436605

IUPAC(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
SMILESC=C/C=c1/c(C(C)C)ns/c1=C/C
InChIInChI=1S/C11H15NS/c1-5-7-9-10(6-2)13-12-11(9)8(3)4/h5-8H,1H2,2-4H3/b9-7+,10-6+
InChIKeyWXNTYUBHTMNSHX-IDXDHNASSA-N
MW193.31 g/mol
LogP2.03
Rot. Bonds2

About (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole

(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole (PubChem CID 139436605) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole.

Molecular Properties

Compound Name(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
PubChem CID139436605
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole
SMILESC=C/C=c1/c(C(C)C)ns/c1=C/C
InChIInChI=1S/C11H15NS/c1-5-7-9-10(6-2)13-12-11(9)8(3)4/h5-8H,1H2,2-4H3/b9-7+,10-6+
InChIKeyWXNTYUBHTMNSHX-IDXDHNASSA-N
XLogP2.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
The IUPAC name of (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole (CID 139436605) is (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole.
What is the SMILES notation for (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
The canonical SMILES for (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole is C=C/C=c1/c(C(C)C)ns/c1=C/C.
What is the InChIKey of (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
The InChIKey is WXNTYUBHTMNSHX-IDXDHNASSA-N. The full InChI is InChI=1S/C11H15NS/c1-5-7-9-10(6-2)13-12-11(9)8(3)4/h5-8H,1H2,2-4H3/b9-7+,10-6+.
What are the key properties of (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole?
(4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole has a molecular weight of 193.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-ethylidene-3-propan-2-yl-4-prop-2-enylidene-1,2-thiazole is sourced from PubChem (CID 139436605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).