(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole

C8H11NS — CID 163884278

IUPAC(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole
SMILESC/C=C\C=C1\N=CSC1C
InChIInChI=1S/C8H11NS/c1-3-4-5-8-7(2)10-6-9-8/h3-7H,1-2H3/b4-3-,8-5+
InChIKeyPVZNYFZETFYGLS-HMRFFJRGSA-N
MW153.25 g/mol
LogP2.61
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole

(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole (PubChem CID 163884278) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole
PubChem CID163884278
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole
SMILESC/C=C\C=C1\N=CSC1C
InChIInChI=1S/C8H11NS/c1-3-4-5-8-7(2)10-6-9-8/h3-7H,1-2H3/b4-3-,8-5+
InChIKeyPVZNYFZETFYGLS-HMRFFJRGSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
(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-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
N-(2-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123516648
N-(6-methylsulfanylcyclohexa-1,3-dien-1-yl)methanimine
CID 123551484
5H-cyclohepta[d][1,3]thiazole
CID 123551915
N-(4-methylsulfanylpent-2-en-3-yl)methanimine
CID 123620663
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180
methyl N-hexa-1,3-dien-2-ylmethanimidothioate
CID 123981750

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole (CID 163884278) is (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole is C/C=C\C=C1\N=CSC1C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole?
The InChIKey is PVZNYFZETFYGLS-HMRFFJRGSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-4-5-8-7(2)10-6-9-8/h3-7H,1-2H3/b4-3-,8-5+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole?
(4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-5-methyl-1,3-thiazole is sourced from PubChem (CID 163884278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).