(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole

C8H9NS — CID 171501986

IUPAC(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole
SMILESC=C/C(C)=c1/scnc1=C
InChIInChI=1S/C8H9NS/c1-4-6(2)8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-6+
InChIKeyPMMIFPUASODQNL-SOFGYWHQSA-N
MW151.23 g/mol
LogP0.91
Rot. Bonds1

About (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole

(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole (PubChem CID 171501986) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole
PubChem CID171501986
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole
SMILESC=C/C(C)=c1/scnc1=C
InChIInChI=1S/C8H9NS/c1-4-6(2)8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-6+
InChIKeyPMMIFPUASODQNL-SOFGYWHQSA-N
XLogP0.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Di(propan-2-ylidene)-1,3-thiazole
CID 57564419
7-methyl-4H-1,3-benzothiazol-4-ide;vanadium
CID 58775348
4-methyl-7H-1,3-benzothiazol-7-ide;vanadium
CID 58775463
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
5-Ethylidene-4-propan-2-ylidene-1,3-thiazole
CID 91081809
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
4-Hepta-1,3,5-trien-3-yl-1,1-dimethyl-1,3-thiazole
CID 123183735
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180

Frequently Asked Questions

What is the IUPAC name of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole?
The IUPAC name of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole (CID 171501986) is (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole.
What is the SMILES notation for (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole?
The canonical SMILES for (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole is C=C/C(C)=c1/scnc1=C.
What is the InChIKey of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole?
The InChIKey is PMMIFPUASODQNL-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H9NS/c1-4-6(2)8-7(3)9-5-10-8/h4-5H,1,3H2,2H3/b8-6+.
What are the key properties of (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole?
(5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole has a molecular weight of 151.23 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-but-3-en-2-ylidene-4-methylidene-1,3-thiazole is sourced from PubChem (CID 171501986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).