(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole

C7H7NS — CID 142875397

IUPAC(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scnc1=C
InChIInChI=1S/C7H7NS/c1-3-4-7-6(2)8-5-9-7/h3-5H,1-2H2/b7-4+
InChIKeyPYNRVKKRUXXCMD-QPJJXVBHSA-N
MW137.21 g/mol
LogP0.52
Rot. Bonds1

About (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole

(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole (PubChem CID 142875397) has the molecular formula C7H7NS and a molecular weight of 137.21 g/mol. Its IUPAC name is (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole.

Molecular Properties

Compound Name(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
PubChem CID142875397
Molecular FormulaC7H7NS
Molecular Weight137.21 g/mol
Exact Mass137.03
IUPAC Name(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/scnc1=C
InChIInChI=1S/C7H7NS/c1-3-4-7-6(2)8-5-9-7/h3-5H,1-2H2/b7-4+
InChIKeyPYNRVKKRUXXCMD-QPJJXVBHSA-N
XLogP0.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethylene-thiazole
CID 15528583
4H-1,3-benzothiazol-4-ide;vanadium
CID 58775371
7H-1,3-benzothiazol-7-ide;vanadium
CID 58775540
[(Z)-3-(5H-1,3-thiazol-5-id-4-yl)prop-2-enylidene]tungsten;tungsten
CID 59651851
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91101949
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
4-(3-Methylbut-2-enylidene)-5-methylidene-1,3-thiazole
CID 124009275
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 124173797
(5Z)-5-(1-bromoprop-2-enylidene)-4-methylidene-1,3-thiazole
CID 126700094
(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
CID 130239694
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
CID 138519855

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
The IUPAC name of (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole (CID 142875397) is (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole.
What is the SMILES notation for (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
The canonical SMILES for (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole is C=C/C=c1/scnc1=C.
What is the InChIKey of (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
The InChIKey is PYNRVKKRUXXCMD-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H7NS/c1-3-4-7-6(2)8-5-9-7/h3-5H,1-2H2/b7-4+.
What are the key properties of (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole?
(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole has a molecular weight of 137.21 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 142875397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).