(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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Related Compounds

CID 124023467
CID 124023467
CID 139436603
CID 139436603
CID 142018361
CID 142018361
CID 142051518
CID 142051518
CID 143162594
CID 143162594
CID 143162666
CID 143162666
CID 143699595
CID 143699595
CID 144599887
CID 144599887
CID 145296574
CID 145296574
CID 145296641
CID 145296641
CID 150480106
CID 150480106
CID 157860479
CID 157860479

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).