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

C9H13NS — CID 88944830

IUPAC(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
SMILESCC/C=C\C=C1/CSC(C)=N1
InChIInChI=1S/C9H13NS/c1-3-4-5-6-9-7-11-8(2)10-9/h4-6H,3,7H2,1-2H3/b5-4-,9-6+
InChIKeyRZBXJUKJFCUMJQ-KMOPYBJPSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds2

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

(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole (PubChem CID 88944830) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole.

Molecular Properties

Compound Name(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
PubChem CID88944830
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
SMILESCC/C=C\C=C1/CSC(C)=N1
InChIInChI=1S/C9H13NS/c1-3-4-5-6-9-7-11-8(2)10-9/h4-6H,3,7H2,1-2H3/b5-4-,9-6+
InChIKeyRZBXJUKJFCUMJQ-KMOPYBJPSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole?
The IUPAC name of (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole (CID 88944830) is (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole.
What is the SMILES notation for (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole?
The canonical SMILES for (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole is CC/C=C\C=C1/CSC(C)=N1.
What is the InChIKey of (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole?
The InChIKey is RZBXJUKJFCUMJQ-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-4-5-6-9-7-11-8(2)10-9/h4-6H,3,7H2,1-2H3/b5-4-,9-6+.
What are the key properties of (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole?
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole is sourced from PubChem (CID 88944830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).