(2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole

C12H18N2S2 — CID 14902180

IUPAC(2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole
SMILESCCN1C(C)=CS/C1=C1/SC=C(C)N1CC
InChIInChI=1S/C12H18N2S2/c1-5-13-9(3)7-15-11(13)12-14(6-2)10(4)8-16-12/h7-8H,5-6H2,1-4H3/b12-11+
InChIKeyVQVIFQFUNPYZEC-VAWYXSNFSA-N
MW254.42 g/mol
LogP3.97
Rot. Bonds2

About (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole

(2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole (PubChem CID 14902180) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name(2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole
PubChem CID14902180
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC Name(2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole
SMILESCCN1C(C)=CS/C1=C1/SC=C(C)N1CC
InChIInChI=1S/C12H18N2S2/c1-5-13-9(3)7-15-11(13)12-14(6-2)10(4)8-16-12/h7-8H,5-6H2,1-4H3/b12-11+
InChIKeyVQVIFQFUNPYZEC-VAWYXSNFSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole?
The IUPAC name of (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole (CID 14902180) is (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole.
What is the SMILES notation for (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole?
The canonical SMILES for (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole is CCN1C(C)=CS/C1=C1/SC=C(C)N1CC.
What is the InChIKey of (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole?
The InChIKey is VQVIFQFUNPYZEC-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-5-13-9(3)7-15-11(13)12-14(6-2)10(4)8-16-12/h7-8H,5-6H2,1-4H3/b12-11+.
What are the key properties of (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole?
(2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole has a molecular weight of 254.42 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethyl-2-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)-4-methyl-1,3-thiazole is sourced from PubChem (CID 14902180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).